SCHEMBL10360591

SCHEMBL10360591

CC(C)c1cc(Cc2cc(C(C)C)c(C(=O)O)c(C(C)C)c2)cc(C(C)C)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.64
FABP4 P15090 1/20 0.64
HMGB1 P09429 1/20 0.40
CXCL12 P48061 1/20 0.40
GSR P00390 1/20 0.37
THRB P10828 6/20 0.37
THRA P10827 5/20 0.37
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
PTPN1 P18031 1/20 0.36
ACE2 Q9BYF1 2/20 0.36
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
ABCC1 P33527 1/20 0.35
KLKB1 P03952 1/20 0.34
CTSB P07858 1/20 0.34
MMP9 P14780 1/20 0.34
DNMT1 P26358 1/20 0.34
DNMT3B Q9UBC3 1/20 0.34
DNMT3L Q9UJW3 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
SCHEMBL19610481 0.80 FABP3 (0.72) FABP3FABP4LDHALDHBACE2
SCHEMBL14273020 0.78 FABP3 (0.69) FABP3FABP4LDHALDHBPTPN1
SCHEMBL810177 0.78 FABP3 (1.00) FABP3FABP4LDHALDHBACE2
SCHEMBL17323547 0.78 FABP3 (0.69) FABP3FABP4LDHALDHBACE2
SCHEMBL17311830 0.77 FABP3 (0.96) FABP3FABP4LDHALDHBACE2
SCHEMBL19164751 0.74 FABP3 (0.63) FABP3FABP4THRBTHRALDHA
SCHEMBL17935194 0.73 CA1 (0.68) FABP3FABP4THRBTHRALDHA
SCHEMBL2467528 0.73 GSR (0.63) GSRGABRA1GABRB1
SCHEMBL28708940 0.72 FABP3 (0.78) FABP3FABP4LDHALDHBACE2
SCHEMBL6637397 0.71 FABP3 (0.59) FABP3FABP4GABRA1GABRB1

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-4923951-A DIISOCYANTE, ALKALI OR ALKALINE EARTH METAL CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-08 US disclosed
EP-0328342-A2 Process for producing aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-16 EP disclosed