SCHEMBL9864151

SCHEMBL9864151

CCc1cc(C(C)CC)cc(Cc2cc(C(C)CC)cc(CC)c2N)c1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A2 P05177 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL11161854 0.94 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL10785413 0.89 FABP3 (0.37) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863669 0.86 USP2 (0.33) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863946 0.84 HTT (0.42) ALDH1A1ALOX15HSD17B10GAAHTT
SCHEMBL9863958 0.84 POLB (0.41) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9864040 0.83 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863588 0.83 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863672 0.78 POLB (0.38) GAAHTTPOLB
SCHEMBL9863731 0.78 FABP3 (0.42) HTTPOLBTAAR1
SCHEMBL9863691 0.78 USP2 (0.36) 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