SCHEMBL9864117

SCHEMBL9864117

CCC(C)c1cc(C)c(N)c(Cc2cc(C(C)CC)cc(C(C)CC)c2N)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 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
SCHEMBL9864040 0.92 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL10781032 0.86 ALDH1A1 (0.36) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863691 0.86 USP2 (0.36) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863588 0.85 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863669 0.81 USP2 (0.33) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL10782824 0.80 FABP3 (0.38) ALDH1A1ALOX15HSD17B10GAACYP1A2
SCHEMBL10785413 0.77 FABP3 (0.37) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9864151 0.76 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863794 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10GAACYP1A2
SCHEMBL9863958 0.76 POLB (0.41) ALDH1A1ALOX15HSD17B10USP2GAA

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
US-5051310-A Textured polyurethane molded articles having multiple sheet layers BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4698371-A REACTION INJECTION MOLDING BASF AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed