SCHEMBL10695082

SCHEMBL10695082

O=Cc1ccc(OCCC(O)COc2ccc(C=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PLA2G4B P0C869 1/20 0.41
ALDH1A3 P47895 1/20 0.41
ATM Q13315 1/20 0.40
CYP2A6 P11509 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL19214412 0.93 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL10694902 0.88 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL945328 0.83 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL5511320 0.83 S1PR1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL10552506 0.81 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL4407028 0.80 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL11270317 0.79 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL19392615 0.78 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL851166 0.78 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL7453258 0.78 HIF1A (0.60) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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-4749774-A UNSATURATED POLYESTERS EASTMAN KODAK COMPANY (US) 1988-06-07 US disclosed