SCHEMBL9864040

SCHEMBL9864040

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL10781032 0.93 ALDH1A1 (0.36) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9864117 0.92 ALDH1A1 (0.35) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9864151 0.83 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863794 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10GAACYP1A2
SCHEMBL9863958 0.82 POLB (0.41) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL9863588 0.81 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL19391606 0.77 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10USP2GAA
SCHEMBL10782824 0.76 FABP3 (0.38) ALDH1A1ALOX15HSD17B10GAACYP1A2
SCHEMBL9864156 0.76 ALDH1A1 (0.34) ALDH1A1ALOX15HSD17B10GAACYP1A2
SCHEMBL11161854 0.76 ALDH1A1 (0.44) 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