SCHEMBL10463550

SCHEMBL10463550

CCCCCn1c(-c2ccc(F)cc2)cc(=O)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
SMPD1 P17405 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
GLA P06280 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
SCHEMBL10463381 0.92 CNR2 (0.45) CNR2SMPD1KDM4EMAPTCNR1
SCHEMBL10463989 0.84 ALDH1A1 (0.50) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL10463272 0.83 ALDH1A1 (0.49) CNR2KDM4EMAPTALDH1A1POLB
SCHEMBL10464019 0.81 CNR2 (0.41) CNR2SMPD1KDM4EALDH1A1HPGD
SCHEMBL10463516 0.81 HPGD (0.44) KDM4EALDH1A1HPGDSMN1; SMN2ALOX15
SCHEMBL10464021 0.79 ALDH1A1 (0.57) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL10462405 0.78 ALDH1A1 (0.56) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL10462415 0.77 KMT2A (0.42) KDM4EALDH1A1HPGDUSP2ALOX15
SCHEMBL10463700 0.76 KMT2A (0.41) KDM4EALDH1A1HPGDUSP2ALOX15
SCHEMBL10463273 0.74 ALDH1A1 (0.50) SMPD1KDM4EMAPTALDH1A1POLB

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