SCHEMBL29200085

SCHEMBL29200085

CN1CC(c2ccc(C(F)(F)F)cc2)CC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
F2R P25116 3/20 0.43
HTR2C P28335 2/20 0.42
PROKR1 Q8TCW9 2/20 0.42
P2RY14 Q15391 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LIPE Q05469 1/20 0.38
ACACB O00763 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
SCHEMBL28534685 0.80 P2RY14 (0.45) NOTUMP2RY14
SCHEMBL28527120 0.75 KDM4E (0.46) NOTUMF2RPROKR1KDM4EALDH1A1
Formamide SCHEMBL23632185 0.75 F2R (0.43) F2RHTR2CPROKR1KDM4EALDH1A1
SCHEMBL28532704 0.74 HSD11B1 (0.46) NOTUMF2RHTR2CP2RY14
SCHEMBL23632041 0.74 HSD11B1 (0.46) NOTUMF2RHTR2CP2RY14
SCHEMBL1580970 0.72 NOTUM (0.47) NOTUMF2RHTR2CPROKR1P2RY14
SCHEMBL21616642 0.72 SRD5A2 (0.48) F2RP2RY14KDM4EALDH1A1POLB
SCHEMBL30474539 0.72 EPHX2 (0.40) F2RPROKR1KDM4EALDH1A1POLB
SCHEMBL31154255 0.72 AKR1C3 (0.65) NOTUMF2RHTR2CP2RY14KDM4E
SCHEMBL23632103 0.71 HTR2C (0.44) NOTUMF2RHTR2CPROKR1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed