SCHEMBL9615802

SCHEMBL9615802

C=Cc1ccc(OCC2CO2)c(CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GLA P06280 1/20 0.44
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VDR P11473 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MGLL Q99685 1/20 0.33
TRPA1 O75762 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
SCHEMBL13986691 0.84 ALDH1A1 (0.55) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3130116 0.84 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL21838262 0.83 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3833073 0.82 TRPA1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL28804591 0.80 ALDH1A1 (0.53) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9615795 0.80 ALDH1A1 (0.43) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL8372468 0.78 ALDH1A1 (0.53) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL11394739 0.78 KDM4E (0.41) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9615801 0.78 TRPA1 (0.40) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21838254 0.78 ALDH1A1 (0.41) ALDH1A1GLATP53TSHRHIF1A

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
US-5124234-A Protective coating for printed circuits FUJI PHOTO FILM CO., LTD. (JP) 1992-06-23 US disclosed