SCHEMBL9352102

SCHEMBL9352102

CCCCCCc1ccc(CCC2=CCC([C@H]3CC[C@H](CCC)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.39
TNNC1 P63316 5/20 0.37
S1PR1 P21453 2/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37

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
SCHEMBL9351121 0.99 SPHK1 (0.36) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9351655 0.95 SPHK1 (0.39) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9350946 0.95 SPHK1 (0.39) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9350916 0.95 SPHK1 (0.39) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9351394 0.95 SPHK1 (0.39) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9354831 0.95 TLR4 (0.35) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9355184 0.94 SPHK1 (0.36) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9351562 0.94 SPHK1 (0.36) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9351298 0.93 S1PR3 (0.38) SPHK1TNNC1S1PR1SGPL1S1PR4
SCHEMBL9351744 0.93 SPHK1 (0.40) SPHK1TNNC1S1PR1SGPL1S1PR4

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-0410756-B1 Cyclohexenylethane compounds CHISSO CORP (JP) 1994-09-14 EP disclosed
US-5064565-A Liquid crystals CHISSO CORPORATION (JP) 1991-11-12 US disclosed
EP-0410756-A1 Cyclohexenylethane compounds Chisso Corporation (JP) 1991-01-30 EP disclosed