SCHEMBL14041790

SCHEMBL14041790

C=C(O)c1ccccc1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA4 P22748 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HMGB1 P09429 2/20 0.41
▸ NAPRT Q6XQN6 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GGT1 P19440 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
SCHEMBL279655 0.84 ALDH1A1 (0.53) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL8297060 0.83 SMN1; SMN2 (0.42) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL4804676 0.82 ALDH1A1 (0.42) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9008317 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL11373632 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL7596837 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL21969580 0.82 ALDH1A1 (0.47) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL13101779 0.80 CES2 (0.45) ALDH1A1ALOX15SMN1; SMN2MAPTLMNA
SCHEMBL13444656 0.80 KDM4E (0.44) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL23844114 0.80 ALDH1A1 (0.38) ALDH1A1ALOX15CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559485-B1 Stable tin free catalysts for electroless metallization ROHM & HAAS ELECT MAT (US) 2017-03-29 — — EP disclosed
WO-2008122581-A1 PROCESS FOR PREPARING POLYMER POLYOLS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-10-16 — — WO disclosed
Send feedback