SCHEMBL10463272

SCHEMBL10463272

CCCn1c(-c2ccccc2)cc(=O)c(C(=O)O)c1-c1ccccc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
ESR1 P03372 2/20 0.45
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
AGTR1 P30556 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL10463989 0.99 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDPOLBADORA1
SCHEMBL10462405 0.89 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPOLBADORA1
SCHEMBL10463381 0.88 CNR2 (0.45) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL10464021 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDPOLBADORA1
SCHEMBL10463271 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDPOLBADORA1
SCHEMBL10596766 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDPOLBADORA1
SCHEMBL10463550 0.83 CNR2 (0.42) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL10462655 0.81 HPGD (0.50) ALDH1A1KDM4EHPGDPOLBADORA2B
SCHEMBL10460643 0.80 HPGD (0.51) ALDH1A1KDM4EHPGDPOLBADORA2B
SCHEMBL10464019 0.80 CNR2 (0.41) ALDH1A1KDM4EHPGDESR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed