SCHEMBL8330261

SCHEMBL8330261

O=C(OCC(Br)(CO)[N+](=O)[O-])c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ESR2 Q92731 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 4/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
KDR P35968 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.42
CYP2D6 P10635 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11568539 0.87 MAPK1 (0.56) MEN1KMT2ALMNAMAPK1TSHR
SCHEMBL11144859 0.78 MAPK1 (0.61) MEN1KMT2ALMNAMAPK1TSHR
Paraben SCHEMBL8330259 0.78 LMNA (0.57) MEN1KMT2ACA12CA1CA2
SCHEMBL1345034 0.76 ESR1 (0.56) ESR1MEN1KMT2AESR2CA12
SCHEMBL1348236 0.73 MAPK1 (0.68) ESR1MEN1KMT2AESR2CA12
SCHEMBL7129223 0.73 LMNA (0.57) LMNAALDH1A1MAPT
SCHEMBL23484566 0.71 MAPK1 (0.64) ESR1MEN1KMT2AESR2CA12
SCHEMBL1728720 0.71 MAPK1 (0.64) ESR1MEN1KMT2AESR2CA12
SCHEMBL7945129 0.71 ESR1 (0.58) ESR1MEN1KMT2AESR2CA12
SCHEMBL18652233 0.71 MAPK1 (0.64) ESR1MEN1KMT2AESR2CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190262494-A1 TOPICAL DRESSING COMPOSITION FOR THE TREATMENT OF DAMAGED SKIN TISSUE KHORAKIWALA, Habil F (IN) 2019-08-29 US disclosed
US-20190167763-A1 TOPICAL PHARMACEUTICAL COMPOSITION FOR PROMOTING HAIR GROWTH AND/OR REDUCING HAIR LOSS KHORAKIWALA, Habil F (IN) 2019-06-06 US disclosed
US-5872111-A TOILET BAR SOAP, FACIAL BODY CLEANSER, SHAMPOO, CONDITIONER, COSMETIC,SHAVING CREAM OR LOTION, SHOWER GEL, FABRIC SOFTENING CONDITIONER, AND UNDERARM DEODORANT/ANTI-PERSPIRANT LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1999-02-16 US disclosed
EP-0550281-B1 Compositions comprising nonionic glycolipid surfactants UNILEVER PLC (GB) 1997-03-19 EP disclosed
US-5560872-A DETERGENTS; BIODEGRADABLE; GOOD SOLUBILITY LEVER BROTHERS COMPANY (US) 1996-10-01 US disclosed
EP-0729452-A1 ISETHIONATE ESTERS OF ALKYL ALKOXY CARBOXYLIC ACIDS AS MILD SURFACTANTS UNILEVER N.V. (NL) 1996-09-04 EP disclosed
US-5529768-A HAVING NONIONIC AND ANIONIC SURFACTANT CHARACTERISTICS LEVER BROTHERS COMPANY (US) 1996-06-25 US disclosed
EP-0550276-B1 Compositions comprising anionic glycolipid surfactants UNILEVER PLC (GB) 1996-05-08 EP disclosed
US-5505938-A HAVING BOTH ANIONIC AND NONIONIC SURFACTANT CHARACTERISTICS; BIODEGRADABLE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-04-09 US disclosed
US-5466396-A Isethionate esters of alkyl alkoxy carboxylic acid LEVER BROTHERS COMPANY (US) 1995-11-14 US disclosed
EP-0371803-B1 TOPICAL COMPOSITION UNILEVER PLC (GB) 1992-11-11 EP disclosed
US-5139781-A And a cationic cellulose polymer to enhance mildness; for applying to hair or skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-08-18 US disclosed
EP-0493927-A1 Phosphate esters and compositions containing them UNILEVER PLC (GB) 1992-07-08 EP disclosed
US-5093112-A Hair and skin cleansers CHESEBROUGH-POND'S U.S.A. CO., DIVISION OF CONOPCO, INC. (US) 1992-03-03 US disclosed
US-5078991-A Shampoo or soap containing dialkyl or dialkenyl phosphate, nonirritating CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-01-07 US disclosed
EP-0437347-A1 Topical composition UNILEVER PLC (GB) 1991-07-17 EP disclosed
EP-0371803-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed
EP-0371801-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed
EP-0371802-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed
EP-0371804-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed