SCHEMBL7019242

SCHEMBL7019242

CC1(C)C[C@@](C)(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.55
RARB P10826 10/20 0.55
RARG P13631 9/20 0.55
RXRB P28702 7/20 0.55
RXRG P48443 4/20 0.55
RARA P10276 8/20 0.52
CYP26A1 O43174 5/20 0.51
CYP26B1 Q9NR63 3/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 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
SCHEMBL9817816 0.94 RXRA (0.55) RXRARARBRARGRXRBRXRG
SCHEMBL29565418 0.94 RXRA (0.55) RXRARARBRARGRXRBRXRG
SCHEMBL527839 0.94 RXRA (0.55) RXRARARBRARGRXRBRXRG
Ethylene SCHEMBL9717516 0.91 RXRA (0.54) RXRARARBRARGRXRBRXRG
Isophthalic Acid SCHEMBL8673837 0.88 RXRA (0.50) RXRARARBRARGRXRBRXRG
Phenol SCHEMBL11299372 0.86 RXRA (0.48) RXRARARBRARGRXRBRXRG
SCHEMBL7019245 0.86 RXRA (0.52) RXRARARBRARGRXRBRXRG
SCHEMBL17281437 0.86 RXRA (0.49) RXRARARBRARGRXRBRXRG
SCHEMBL17285601 0.84 RXRA (0.42) RXRARARBRARGRXRBRXRG
SCHEMBL8776544 0.83 RARB (0.65) 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-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP disclosed
US-6107447-A LIQUID CRYSTALLINE POLYMERS HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) 2000-08-22 US disclosed
EP-0856025-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-08-05 EP disclosed
WO-1997014739-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST RESEARCH & TECHNOLOGY (DE) 1997-04-24 WO disclosed