SCHEMBL3965511

SCHEMBL3965511

CCCCOC(=O)c1ccc2nn(-c3cc(C)ccc3O)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.52
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL10714551 0.91 NPC1 (0.58) ESR1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3268140 0.88 ESR1 (0.50) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL28988280 0.86 ESR1 (0.49) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129878 0.85 KDM4E (0.50) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL30162729 0.85 KDM4E (0.50) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL24089392 0.84 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2CA12
SCHEMBL26489368 0.84 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2CA12
SCHEMBL22129875 0.83 ESR1 (0.47) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129874 0.83 ESR1 (0.45) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL30162521 0.83 ESR1 (0.45) ESR1LMNACYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042017-A1 Surface Protective Sheet KIMOTO CO., LTD. (JP) 2009-02-12 US disclosed
EP-0134389-B1 VINYL CHLORIDE RESIN COMPOSITION NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1988-07-27 EP disclosed
US-4670490-A CONTAINING DIESTER PLASTICIZER-MOLDING MATERIALS NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1987-06-02 US disclosed
EP-0134389-A2 Vinyl chloride resin composition NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1985-03-20 EP disclosed
US-4251435-A FOR POLYOLEFINS THE B. F. GOODRICH COMPANY (US) 1981-02-17 US disclosed