SCHEMBL9497982

SCHEMBL9497982

CC(C)C[Si](O)(c1ccccc1)c1ccccc1.CCCCC#Cc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MMP2 P08253 3/20 0.37
MMP3 P08254 3/20 0.37
MMP13 P45452 3/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GRIN2B Q13224 1/20 0.36
MMP12 P39900 1/20 0.36
TNK2 Q07912 1/20 0.35

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
SCHEMBL9367587 0.87 MAPT (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9367547 0.83 CYP3A4 (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8862098 0.81 MAPT (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9334200 0.78 APP (0.48) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8862120 0.77 MAPT (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9333395 0.77 APP (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9333433 0.73 APP (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9336817 0.73 FFAR1 (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9429436 0.72 FFAR1 (0.49) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9332966 0.72 FFAR1 (0.51) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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-0532621-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018883-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed