SCHEMBL9817816

SCHEMBL9817816

CC1(C)C[C@](C)(c2ccc(C(=O)O)cc2)c2cc(C(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.55
RARB P10826 11/20 0.55
RARG P13631 10/20 0.55
RXRB P28702 7/20 0.55
RXRG P48443 4/20 0.55
RARA P10276 9/20 0.52
CYP26A1 O43174 6/20 0.51
CYP26B1 Q9NR63 3/20 0.51
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GMNN O75496 1/20 0.48

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
SCHEMBL527839 1.00 RXRA (0.55) RXRARARBRARGRXRBRXRG
SCHEMBL29565418 1.00 RXRA (0.55) RXRARARBRARGRXRBRXRG
Ethylene SCHEMBL9717516 0.97 RXRA (0.54) RXRARARBRARGRXRBRXRG
Isophthalic Acid SCHEMBL8673837 0.94 RXRA (0.50) RXRARARBRARGRXRBRXRG
SCHEMBL7019242 0.94 RXRA (0.55) RXRARARBRARGRXRBRXRG
Phenol SCHEMBL11299372 0.92 RXRA (0.48) RXRARARBRARGRXRBRXRG
SCHEMBL9453693 0.87 RARB (0.46) RXRARARBRARGRXRBRXRG
SCHEMBL11243728 0.87 RARB (0.48) RXRARARBRARGRXRBRXRG
SCHEMBL17281437 0.86 RXRA (0.49) RXRARARBRARGRXRBRXRG
SCHEMBL17285600 0.84 RXRA (0.42) RXRARARBRARGRXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177182-B1 TWO-STAGE PROCESS FOR PRODUCING POLYBENZIMIDAZOLES FROM DICARBOXYLIC COMPONENT CELANESE CORPORATION (US) 1991-12-18 EP disclosed
US-4672104-A Two stage polybenzimidazole process and product CELANESE CORPORATION (US) 1987-06-09 US disclosed
US-4588808-A AROMATIC TETRAAMINES, AGITATION, TORQUE, FOAMING, CRUSHING CELANESE CORPORATION (US) 1986-05-13 US disclosed
EP-0177182-A2 Two-stage process for producing polybenzimidazoles from dicarboxylic component CELANESE CORPORATION (US) 1986-04-09 EP disclosed