SCHEMBL11518124

SCHEMBL11518124

[CH]=CC(O)C(C)(C)Oc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11516559 0.82 LMNA (0.36) CASRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11664076 0.78 NFE2L2 (0.37) CASRNFE2L2
SCHEMBL11610467 0.75 CASR (0.35) CASRNFE2L2GAAALDH1A1CNR1
SCHEMBL11623635 0.74 CETP (0.41) —
SCHEMBL24225606 0.74 ALDH1A1 (0.37) CASRNFE2L2GAAALDH1A1CNR1
SCHEMBL11611825 0.72 CASR (0.39) CASRGAAALDH1A1CNR1ADRB2
SCHEMBL11517432 0.72 ATM (0.40) GAAALDH1A1MAOB
SCHEMBL11516078 0.71 OGG1 (0.38) CASRCNR1MAOBKMT2A
SCHEMBL11662943 0.70 NFE2L2 (0.35) CASRNFE2L2GAAALDH1A1MAOA
SCHEMBL11518178 0.69 TRPA1 (0.39) CASRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29926-E 2-Decarboxy-2-hydroxy-methyl-16-fluoro-PGE1 compounds THE UPJOHN COMPANY (US) 1979-03-06 — — US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4055602-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1977-10-25 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 — — US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
Send feedback