SCHEMBL17273612

SCHEMBL17273612

COc1ccc(-c2[c]ccc(OC(C)(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ESR2 Q92731 1/20 0.35
APP P05067 1/20 0.34
ABL1 P00519 2/20 0.34
ABCB1 P08183 2/20 0.34

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
SCHEMBL459934 0.86 CA12 (0.44) EGFRNPC1TP53MAPK1CASP3
SCHEMBL15068151 0.82 KIF11 (0.37) KIF11
SCHEMBL6790654 0.81 RIPK1 (0.34) KIF11
SCHEMBL16336114 0.80 ALDH1A1 (0.34) TP53SMN1; SMN2MAOBMEN1MAOA
SCHEMBL9598776 0.79 MAPT (0.38) EGFRNPC1TP53MAPK1CASP3
SCHEMBL5322041 0.78 MAOB (0.42) EGFRNPC1TP53MAPK1CASP3
SCHEMBL28095381 0.78 ABL1 (0.47) EGFRNPC1TP53MAPK1CASP3
SCHEMBL27720539 0.78 ABL1 (0.47) EGFRNPC1TP53MAPK1CASP3
SCHEMBL6382918 0.77 CYP11B1 (0.44) NPC1MAPK1RAB9ASMN1; SMN2KMT2A
SCHEMBL7661455 0.76 ACHE (0.45) EGFRNPC1TP53MAPK1CASP3

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-20150337143-A1 Antifouling Coating Composition PPG COATINGS EUROP B V (NL) 2015-11-26 US disclosed