SCHEMBL9864155

SCHEMBL9864155

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.44
FABP3 P05413 2/20 0.44
FABP5 Q01469 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
DHFR P00374 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SOAT2 O75908 1/20 0.31
MYC P01106 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
SCHEMBL10782824 0.91 FABP3 (0.38) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL9863731 0.91 FABP3 (0.42) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL21546205 0.88 FABP4 (0.46) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL10781624 0.86 FABP3 (0.35) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL9863691 0.86 USP2 (0.36) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL10780821 0.85 FABP3 (0.38) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL9863588 0.84 ALDH1A1 (0.40) FABP4FABP3FABP5P2RX3P2RX2
SCHEMBL3440745 0.84 GABRA1 (0.50) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL10785413 0.83 FABP3 (0.37) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL24115925 0.83 FABP3 (0.38) FABP4FABP3FABP5GABRA1GABRB2

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