SCHEMBL9291332

SCHEMBL9291332

CCCCCCCOc1ccc(-c2ccc(C3CC[CH]CC3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.36
PTPN11 Q06124 5/20 0.35
FPR2 P25090 1/20 0.34
S1PR3 Q99500 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2B P41595 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.32

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
SCHEMBL9291146 1.00 SPHK1 (0.36) SPHK1PTPN11FPR2S1PR3HTR2A
SCHEMBL9291441 1.00 SPHK1 (0.36) SPHK1PTPN11FPR2S1PR3HTR2A
SCHEMBL9291460 1.00 SPHK1 (0.36) SPHK1PTPN11FPR2S1PR3HTR2A
SCHEMBL9291806 1.00 SPHK1 (0.36) SPHK1PTPN11FPR2S1PR3HTR2A
SCHEMBL9291372 0.99 FPR2 (0.34) SPHK1PTPN11FPR2
SCHEMBL9291245 0.96 PDE4A (0.34) SPHK1FPR2
SCHEMBL9291443 0.93 FPR2 (0.37) FPR2HTR2AHTR2CHTR2B
SCHEMBL16638902 0.89 SPHK1 (0.37) SPHK1PTPN11FPR2
SCHEMBL19985313 0.89 SPHK1 (0.37) SPHK1PTPN11FPR2
SCHEMBL19985314 0.89 SPHK1 (0.37) SPHK1PTPN11FPR2

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
US-5356563-A Two plate electrooptical cell HOFFMANN-LA ROCHE INC. (US) 1994-10-18 US disclosed
US-5244597-A Liquid crystalline mixtures having a chiral tilted smectic phase HOFFMANN-LA ROCHE INC. (US) 1993-09-14 US disclosed