SCHEMBL20207652

SCHEMBL20207652

Cc1ccc(OCC(C)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
ACACB O00763 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
WDR5 P61964 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL15858992 0.84 USP2 (0.49) USP2TSHRNPC1ACACBDRD2
SCHEMBL14764488 0.83 CYP2A6 (0.46) NPC1ACACBMEN1CYP1A2CYP2C9
SCHEMBL5961837 0.83 NPC1 (0.46) TSHRNPC1ACACBDRD2DRD4
SCHEMBL2231003 0.82 TSHR (0.50) USP2TSHRNPC1DRD2DRD4
SCHEMBL29690404 0.78 USP2 (0.47) USP2TSHRNPC1DRD2DRD4
SCHEMBL18295367 0.78 SCN4A (0.52) USP2TSHRDRD2DRD4DRD3
SCHEMBL19121278 0.78 USP2 (0.47) USP2TSHRNPC1DRD2DRD4
SCHEMBL14570065 0.78 LMNA (0.67) USP2TSHRNPC1WDR5LMNA
SCHEMBL9479823 0.78 SCN4A (0.52) USP2TSHRDRD2DRD4DRD3
SCHEMBL9123017 0.78 USP2 (0.47) USP2TSHRNPC1DRD2DRD4

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-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed