SCHEMBL4731185

SCHEMBL4731185

Nc1ccc(CO)cc1C=CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.45
▸ PAM P19021 1/20 0.42
▸ PDE5A O76074 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ ALOX15 P16050 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL14148803 0.82 EGFR (0.40) EGFRALDH1A1CDC25BCASP6RCE1
SCHEMBL14148738 0.81 EGFR (0.69) EGFRALDH1A1CDC25BCASP6RCE1
SCHEMBL17356365 0.79 EGFR (0.38) EGFRALDH1A1KDM4EGAAMAPT
SCHEMBL28010950 0.75 PAM (0.58) PAMPDE5AALDH1A1ALOX15CYP2D6
SCHEMBL14148734 0.72 IAPP (0.48) EGFR
SCHEMBL14148802 0.71 TTR (0.46) EGFRCA12CA1CA2CA7
SCHEMBL23540351 0.70 PAM (0.43) PAMPDE5AALDH1A1ALOX15CYP2D6
SCHEMBL14148735 0.70 EGFR (0.43) EGFRALDH1A1ALOX15KDM4EGAA
SCHEMBL18556990 0.68 EGFR (0.31) EGFR
SCHEMBL19419446 0.67 ALDH1A1 (0.75) ALDH1A1CDC25BCASP6RCE1ALOX15

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
WO-2008053479-A9 SELF-IMMOLATIVE POLYMERS UNIV RAMOT (IL) 2008-07-17 — — WO disclosed
WO-2008053479-A1 SELF-IMMOLATIVE POLYMERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-05-08 — — WO disclosed
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