Sugi Predict

Sugi Predict / Compounds / SCHEMBL8962745

SCHEMBL8962745

SCHEMBL8962745

CCc1ccc(C2CCC([C@H]3CC[C@H](/C=C/Br)CC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.37
▸ HDAC2 Q92769 1/20 0.35
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ SPHK2 Q9NRA0 7/20 0.33
▸ ESR2 Q92731 1/20 0.32
▸ TEAD1 P28347 1/20 0.31

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
SCHEMBL8963231 0.88 SPHK1 (0.44) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL9477169 0.86 SPHK1 (0.36) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL9477163 0.86 SPHK1 (0.36) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL8963210 0.86 SPHK1 (0.36) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL9477165 0.86 SPHK1 (0.36) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL8963023 0.85 SPHK1 (0.52) SPHK1SPHK2
SCHEMBL8835278 0.85 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL8835277 0.85 SPHK1 (0.35) SPHK1HDAC2MAOAMAOBSPHK2
SCHEMBL9299835 0.84 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL8962682 0.84 SLC18A3 (0.39) HDAC2MAOAMAOBESR2

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 — — EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 — — US disclosed