SCHEMBL9625499

SCHEMBL9625499

CCC(C)CCCCCOc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.64
LTA4H P09960 4/20 0.56
RARB P10826 1/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
GAA P10253 1/20 0.42
SLC2A1 P11166 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9812231 1.00 NR5A1 (0.64) NR5A1LTA4HRARBESR1ESR2
SCHEMBL6939838 0.93 LTA4H (0.58) NR5A1LTA4HESR1ESR2DRD2
SCHEMBL9509683 0.93 LTA4H (0.58) NR5A1LTA4HESR1ESR2DRD2
SCHEMBL10525466 0.89 NR5A1 (0.72) NR5A1LTA4HRARBGAASLC2A1
SCHEMBL10525866 0.89 NR5A1 (0.72) NR5A1LTA4HRARBGAASLC2A1
SCHEMBL24626627 0.88 LTA4H (0.55) NR5A1LTA4HESR1ESR2GAA
SCHEMBL10523414 0.87 NR5A1 (0.64) NR5A1LTA4HRARBESR1ESR2
SCHEMBL9712026 0.87 LMNA (0.53) NR5A1LTA4HRARBESR1GAA
SCHEMBL9712033 0.87 LMNA (0.53) NR5A1LTA4HRARBESR1GAA
SCHEMBL20358289 0.84 RARB (0.54) NR5A1LTA4HRARBSLC2A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304359-B1 OPTICALLY ACTIVE COMPOUND Showa Shell Sekiyu Kabushiki Kaisha (JP) 1992-05-06 EP disclosed
EP-0225728-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTER AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1991-07-03 EP disclosed
US-4946989-A ELECTRIC INDICATIVE ELEMENT OF LIQUID CRYSTALS SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1990-08-07 US disclosed
EP-0304359-A1 Optically active compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-02-22 EP disclosed
US-4759869-A Carbonic acid ester containing assymetrical carbon atom and benzene rings CHISSO CORPORATION (JP) 1988-07-26 US disclosed
US-4710585-A BROAD TEMPERATURE RANGE; STABILITY SEIKO INSTRUMENTS & ELECTRONICS LTD. (JP) 1987-12-01 US disclosed
EP-0225728-A2 Liquid crystalline carbonic acid ester and liquid crystal composition containing same Chisso Corporation (JP) 1987-06-16 EP disclosed
EP-0167328-A2 Liquid crystal compound SEIKO INSTRUMENTS INC. (JP) 1986-01-08 EP disclosed