SCHEMBL8635977

SCHEMBL8635977

Fc1ccc(Oc2ccc(OCCc3ncc[nH]3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
TRPA1 O75762 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN4A P35499 1/20 0.40
CACNA1B Q00975 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TERT O14746 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL8684911 0.89 CYP1A2 (0.45) RAB9ACYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL8639331 0.88 LTA4H (0.49) LTA4HCYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL8684972 0.81 FPR2 (0.43) RAB9ACYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL8690250 0.81 HRH3 (0.48) RAB9ACYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL28261194 0.81 TAAR1 (0.46) RAB9ACYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL6181232 0.81 NPC1 (0.49) RAB9ACYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL11581355 0.80 TAAR1 (0.53) LTA4HCYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL3979810 0.80 MAOB (0.43) TRPA1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL8686276 0.80 NOS1 (0.46) LTA4HCYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL8637455 0.80 LTA4H (0.51) LTA4HCYP1A2CYP3A4CYP2D6CYP19A1

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed