SCHEMBL9477993

SCHEMBL9477993

CCCc1ccc(C2CCC(C=CF)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.47
SPHK2 Q9NRA0 7/20 0.41
HDAC2 Q92769 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL9477981 1.00 SPHK1 (0.47) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL9478002 1.00 SPHK1 (0.47) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL9476975 0.96 SPHK1 (0.43) SPHK1SPHK2HDAC2
SCHEMBL9478105 0.96 SPHK1 (0.43) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL9476978 0.96 SPHK1 (0.43) SPHK1SPHK2HDAC2
SCHEMBL9478095 0.96 SPHK1 (0.43) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL9478097 0.96 SPHK1 (0.43) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL9476968 0.96 SPHK1 (0.43) SPHK1SPHK2HDAC2
SCHEMBL9477296 0.93 SPHK1 (0.42) SPHK1SPHK2MAOAMAOB
SCHEMBL9477309 0.93 SPHK1 (0.42) SPHK1SPHK2MAOAMAOB

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