SCHEMBL9477265

SCHEMBL9477265

N#Cc1ccc(-c2ccc(CCCCC/C=C/F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.44
CYP11B2 P19099 15/20 0.44
RARB P10826 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KCNJ1 P48048 1/20 0.39

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
SCHEMBL9477489 1.00 CYP11B1 (0.44) CYP11B1CYP11B2RARBTSHRHSD17B10
SCHEMBL9477282 1.00 CYP11B1 (0.44) CYP11B1CYP11B2RARBTSHRHSD17B10
SCHEMBL9477475 1.00 CYP11B1 (0.44) CYP11B1CYP11B2RARBTSHRHSD17B10
SCHEMBL9477672 0.99 CYP11B1 (0.45) CYP11B1CYP11B2RARBRARARARG
SCHEMBL9477652 0.99 CYP11B1 (0.45) CYP11B1CYP11B2RARBRARARARG
SCHEMBL9477810 0.95 CYP11B1 (0.46) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477822 0.95 CYP11B1 (0.46) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477164 0.89 CYP11B1 (0.48) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9477145 0.89 CYP11B1 (0.48) CYP11B1CYP11B2TRPV4KCNJ1
SCHEMBL9478357 0.83 RARB (0.46) CYP11B1CYP11B2RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed