SCHEMBL9558199

SCHEMBL9558199

CC1(c2ccc(C(=O)O)cc2)CCCCC1c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.44
NR4A2 P43354 3/20 0.44
SRD5A2 P31213 1/20 0.39
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 2/20 0.37
RXRB P28702 4/20 0.37
RXRG P48443 3/20 0.37
OPRM1 P35372 1/20 0.36
KMT2A Q03164 2/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL36554 0.81 ESR2 (0.45) OPRM1
SCHEMBL10528665 0.78 LIG1 (0.41) OPRM1
SCHEMBL1248050 0.78 KDM1A (0.44)
SCHEMBL9557833 0.74 CYP3A4 (0.33)
SCHEMBL29119962 0.72 RXRA (0.49) RXRANR4A2SRD5A2CYP26A1CYP26B1
SCHEMBL15225013 0.71 POLA1 (0.32) KMT2A
SCHEMBL418997 0.71 RARB (0.50) RXRANR4A2CYP26A1CYP26B1RXRB
Diethylamine SCHEMBL11098173 0.70 KDM1A (0.40)
SCHEMBL16861453 0.69 TP53 (0.44) RXRASRD5A2CYP26A1CYP26B1RXRB
SCHEMBL12356799 0.69 RXRA (0.49) RXRASRD5A2CYP26A1CYP26B1RXRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332425-B1 PROCESS FOR REFINING 1,3-DIMETHYL-2-IMIDAZOLIDINONE AND A PROCESS FOR PREPARING AN AROMATIC POLYAMIDE BY USE OF THE REFINED PRODUCT MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
US-5075406-A Solution polymerization of polyamides in solvent purified by adsorption on magnesia, alumina, silica or mixed oxides MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-24 US disclosed
US-5011936-A Using composite salt consisting of at least two of silica, magnesia and alumina MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-30 US disclosed
US-4923951-A DIISOCYANTE, ALKALI OR ALKALINE EARTH METAL CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-08 US disclosed
EP-0332425-A1 Process for refining 1,3-dimethyl-2-imidazolidinone and a process for preparing an aromatic polyamide by use of the refined product MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-13 EP disclosed
EP-0328342-A2 Process for producing aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-16 EP disclosed