SCHEMBL11665133

SCHEMBL11665133

[CH2]CC(OC)C(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.35
▸ MAOB P27338 4/20 0.34
▸ IDO1 P14902 3/20 0.32
▸ AGXT P21549 2/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ TRPA1 O75762 2/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ APP P05067 1/20 0.31
▸ NR3C1 P04150 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
SCHEMBL11664314 0.83 TAAR1 (0.34) CASRMAOBIDO1AGXTAOC3
SCHEMBL11662206 0.83 TRPA1 (0.47) CASRMAOBTRPA1
SCHEMBL11616522 0.76 TRPA1 (0.40) CASRIDO1TRPA1LOXL2HPGD
SCHEMBL11665566 0.75 NFE2L2 (0.34) CASRMAOBAOC3
SCHEMBL11663075 0.73 CASR (0.35) CASRMAOBIDO1AGXTAOC3
SCHEMBL11662016 0.73 HTR2A (0.47) MAOBIDO1SIGMAR1
SCHEMBL14349290 0.72 TRPA1 (0.42) CASRMAOBIDO1AGXTTRPA1
SCHEMBL11612653 0.69 IDO1 (0.37) IDO1AGXTAOC3TRPA1LOXL2
SCHEMBL5447904 0.69 TRPA1 (0.47) CASRMAOBIDO1TRPA1LOXL2
SCHEMBL11661922 0.68 TSHR (0.39) TRPA1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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