SCHEMBL6136637

SCHEMBL6136637

CC(O)N(C(C)O)C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
KDM4E B2RXH2 2/20 0.48
ADRA2C P18825 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA1A P35348 1/20 0.48
RGS12 O14924 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
GNAI1 P63096 1/20 0.48

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
Isopropylbenzene SCHEMBL5709707 0.81 KDM4E (0.48) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL24176558 0.80 ALOX5 (0.47) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL8433241 0.80 ALOX5 (0.47) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL24176561 0.80 ALOX5 (0.47) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL11368841 0.77 ALOX5 (0.55) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL3338353 0.77 ALOX5 (0.46) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL14020381 0.76 ALOX5 (0.48) ALOX5KDM4EADRA2CALDH1A1HTR2A
SCHEMBL11215910 0.75 ALOX5 (0.57) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL3693507 0.75 ALOX5 (0.47) ALOX5KDM4EADRA2CCYP2C9ALDH1A1
SCHEMBL5076555 0.75 ALDH1A1 (0.46) ALOX5KDM4EADRA2CCYP2C9ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073511-A4 POLYMERIC DIFUNCTIONAL CATIONIC EMOLLIENTS AND CONDITIONERS FOR USE IN COSMETIC, PERSONAL CARE AND HOUSEHOLD PRODUCTS ALZO INC (US) 2005-08-03 EP disclosed
EP-1073511-A1 POLYMERIC DIFUNCTIONAL CATIONIC EMOLLIENTS AND CONDITIONERS FOR USE IN COSMETIC, PERSONAL CARE AND HOUSEHOLD PRODUCTS Alzo, Inc. (US) 2001-02-07 EP disclosed
US-6107352-A CLEANING COMPOUNDS; COSMETICS ALZO, INC. (US) 2000-08-22 US disclosed
WO-1999054027-A1 POLYMERIC DIFUNCTIONAL CATIONIC EMOLLIENTS AND CONDITIONERS FOR USE IN COSMETIC, PERSONAL CARE AND HOUSEHOLD PRODUCTS ALZO, INC. (US) 1999-10-28 WO disclosed