SCHEMBL29995306

SCHEMBL29995306

O=Cc1cccc(C2OCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
UNG P13051 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
CYP2A6 P11509 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SRC P12931 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKDC P78527 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL6196036 1.00 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2281435 0.93 ALDH1A1 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6159034 0.80 SRC (0.42) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL6228972 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP2A6KDM4EHSD17B10
SCHEMBL6517741 0.77 MEN1 (0.34) ALDH1A1SMN1; SMN2HTTLMNARAB9A
SCHEMBL4576244 0.75 TP53 (0.42) DRD3ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL20083395 0.74 TAAR1 (0.44) ALDH1A1SMN1; SMN2HTTLMNAATM
SCHEMBL1909839 0.74 ALDH1A1 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11792550 0.74 ALDH1A1 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3437970 0.73 DRD2 (0.58) DRD2DRD1DRD4DRD5DRD3

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-115335050-A Compounds and compositions for treating skin conditions 卡玛瑞制药有限公司 2022-11-11 CN disclosed