SCHEMBL7955853

SCHEMBL7955853

O=C(O)CCc1oc(-c2ncc[nH]2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.48
RXRB P28702 11/20 0.48
RXRG P48443 9/20 0.48
TSHR P16473 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
NR4A2 P43354 3/20 0.39
S1PR1 P21453 1/20 0.38
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 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
SCHEMBL7953812 0.86 HSD17B10 (0.41) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL5210892 0.80 RXRA (0.62) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8304081 0.79 RXRA (0.45) RXRARXRBRXRGTSHRKDM4E
SCHEMBL5211488 0.78 RXRA (0.50) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8308550 0.78 KDM4E (0.46) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8304152 0.78 RXRA (0.51) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8305905 0.77 RXRA (0.45) RXRARXRBRXRGTSHRKDM4E
SCHEMBL5208589 0.77 RXRA (0.56) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8307794 0.76 RXRA (0.46) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8307612 0.75 RXRA (0.43) RXRARXRBRXRGTSHRKDM4E

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-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed