SCHEMBL9330776

SCHEMBL9330776

CCn1c(C)cc(=O)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GFER P55789 1/20 0.40
ADORA1 P30542 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL9333387 0.90 KDM4E (0.46) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL9333435 0.87 KDM4E (0.44) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL122379 0.87 KMT2A (0.49) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL9333945 0.87 KDM4E (0.44) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL9330825 0.87 KDM4E (0.44) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL9330865 0.87 RAB9A (0.46) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL10463549 0.86 KMT2A (0.48) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL10464021 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL9331068 0.84 KDM4E (0.56) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL10462405 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2

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 6 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