SCHEMBL3948837

SCHEMBL3948837

C=C(C(=O)O)C(C)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
PTGS2 P35354 6/20 0.45
PTGS1 P23219 4/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
ALOX5 P09917 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C2 P52895 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL348322 0.84 HPGD (0.52) LMNAPTGS2PTGS1CXCR1CXCR2
SCHEMBL11450473 0.83 LMNA (0.50) LMNAPTGS2PTGS1CYP2C9AKR1C3
SCHEMBL31240124 0.82 PTGS2 (0.65) LMNAPTGS2PTGS1CYP2C9AKR1C3
SCHEMBL16659374 0.77 ALOX5 (0.42) LMNAPTGS2PTGS1CYP2C9AKR1C3
SCHEMBL15442422 0.72 ALDH1A1 (0.47) TSHR
SCHEMBL28857232 0.72 ACHE (0.54) LMNAACACBACACAPLA2G10PLA2G2A
SCHEMBL10515119 0.72 CALM1 (0.52) LMNAACACBACACAPLA2G10PLA2G2A
SCHEMBL15443310 0.72 ALDH1A1 (0.51) TSHR
SCHEMBL28116999 0.72 LMNA (0.46) LMNATSHRACACBACACAPLA2G10
SCHEMBL4841473 0.72 CALM1 (0.57) LMNAEPHX1CALM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080382-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS ALCON INC (CH) 2009-07-08 EP claimed