SCHEMBL9291372

SCHEMBL9291372

CCCCCOc1ccc(-c2ccc(C3CC[CH]CC3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.34
SPHK1 Q9NYA1 5/20 0.34
PTPN11 Q06124 2/20 0.33
CYP2C9 P11712 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL9291441 0.99 SPHK1 (0.36) FPR2SPHK1PTPN11
SCHEMBL9291146 0.99 SPHK1 (0.36) FPR2SPHK1PTPN11
SCHEMBL9291460 0.99 SPHK1 (0.36) FPR2SPHK1PTPN11
SCHEMBL9291806 0.99 SPHK1 (0.36) FPR2SPHK1PTPN11
SCHEMBL9291332 0.99 SPHK1 (0.36) FPR2SPHK1PTPN11
SCHEMBL9291245 0.98 PDE4A (0.34) FPR2SPHK1CYP2C9HRH3PDE4A
SCHEMBL9291443 0.94 FPR2 (0.37) FPR2PDE4AGABRA1GABRB2KDM4E
SCHEMBL9291266 0.90 KDM1A (0.38) FPR2CYP2C9PDE4AKDM4EFFAR4
SCHEMBL19985312 0.89 ESR2 (0.36) FPR2SPHK1PTPN11CYP2C9HRH3
SCHEMBL16638902 0.88 SPHK1 (0.37) FPR2SPHK1PTPN11RAB9A

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