SCHEMBL9615795

SCHEMBL9615795

C=Cc1ccc(OCC2CO2)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 3/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
VDR P11473 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PTPN1 P18031 1/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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 0.83 ALDH1A1 (0.55) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3130116 0.83 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL21838262 0.82 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9615803 0.82 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3833073 0.81 TRPA1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL23731175 0.80 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL13033300 0.80 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9615802 0.80 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL1244629 0.79 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL25246542 0.77 TSHR (0.56) 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