SCHEMBL9330583

SCHEMBL9330583

CCc1cc(=O)c(C(=O)O)c(-c2cccc(Cl)c2)n1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PGR P06401 1/20 0.42
MDM2 Q00987 4/20 0.41
KDM4C Q9H3R0 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL9331297 0.88 TSHR (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL9331068 0.87 KDM4E (0.56) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL9330865 0.86 RAB9A (0.46) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL10462909 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL9331055 0.86 KMT2A (0.46) ALDH1A1KDM4EPOLBHPGDKDM4C
SCHEMBL27270727 0.80 PGR (0.36) ALDH1A1KDM4EPOLBHPGDPGR
SCHEMBL9333871 0.80 MDM2 (0.42) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL25713042 0.79 GRIN1 (0.36) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL9331343 0.78 MDM2 (0.43) ALDH1A1KDM4EPOLBHPGDCYP1A2
SCHEMBL9331084 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364183-B1 Chemical hybridisation of dicots ZENECA LTD (GB) 1994-03-30 EP disclosed
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
EP-0364183-A2 Chemical hybridisation of dicots ZENECA LIMITED (GB) 1990-04-18 EP disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0040082-B1 NOVEL SUBSTITUTED OXONICOTINATES, THEIR USE AS PLANT GROWTH REGULATORS AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1984-04-25 EP disclosed
EP-0040082-A1 Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1981-11-18 EP disclosed