SCHEMBL29960489

SCHEMBL29960489

CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.51
USP30 Q70CQ3 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
RORC P51449 1/20 0.43
CCR8 P51685 1/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL1896746 0.89 USP30 (0.51) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL31450059 0.88 USP30 (0.50) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL29960364 0.86 MEN1 (0.49) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL5839366 0.85 RORC (0.55) USP30L3MBTL1ATMALDH1A1CHRM2
SCHEMBL7887604 0.85 RORC (0.55) USP30L3MBTL1ATMALDH1A1CHRM2
SCHEMBL3449300 0.85 RORC (0.55) USP30L3MBTL1ATMALDH1A1CHRM2
SCHEMBL1897016 0.85 USP30 (0.50) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL853540 0.85 USP30 (0.62) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL14037432 0.85 USP30 (0.62) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL13177349 0.85 USP30 (0.62) USP30SIGMAR1L3MBTL1ATMALDH1A1

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
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed