SCHEMBL9511445

SCHEMBL9511445

COCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=CF)CC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.35
ESR2 Q92731 2/20 0.32
SPHK1 Q9NYA1 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL9511436 1.00 HDAC2 (0.35) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9511430 1.00 HDAC2 (0.35) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9476970 0.96 HDAC2 (0.38) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9476981 0.96 HDAC2 (0.38) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9476964 0.96 HDAC2 (0.38) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9477430 0.92 HDAC2 (0.35) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9477451 0.92 HDAC2 (0.35) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9477442 0.92 HDAC2 (0.35) HDAC2ESR2SPHK1L3MBTL1MAOA
SCHEMBL9476399 0.89 ESR2 (0.39) HDAC2ESR2SPHK1L3MBTL1ESR1
SCHEMBL9476390 0.89 ESR2 (0.39) HDAC2ESR2SPHK1L3MBTL1ESR1

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 2 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
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed