SCHEMBL9333387

SCHEMBL9333387

CCn1c(C)cc(=O)c(C(=O)O)c1-c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 1/20 0.37
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AGTR1 P30556 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL9330776 0.90 ALDH1A1 (0.57) KDM4EPOLBALDH1A1HPGDCYP2C9
SCHEMBL9333435 0.89 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL122379 0.89 KMT2A (0.49) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL9333945 0.89 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL10463549 0.88 KMT2A (0.48) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL9330565 0.85 POLB (0.41) KDM4EPOLBALDH1A1HPGD
SCHEMBL9330760 0.84 POLB (0.43) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL16594527 0.82 KMT2A (0.44) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL9330825 0.80 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDMEN1
SCHEMBL9330865 0.80 RAB9A (0.46) KDM4EPOLBALDH1A1HPGDCYP2C9

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