SCHEMBL11519063

SCHEMBL11519063

[CH]=CC(O)C(C)(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ACP3 P15309 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MAOB P27338 4/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ EPHX1 P07099 3/20 0.42
▸ CETP P11597 3/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11611586 0.85 HTR2A (0.46) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11662620 0.82 HTR2A (0.47) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11613482 0.79 TSHR (0.43) TAAR1
SCHEMBL11611862 0.79 HTR2A (0.50) HTR2AHTR2BHTR2CACP3ADRB2
SCHEMBL11614193 0.78 HTR2A (0.49) HTR2AHTR2BHTR2CACP3ADRB2
SCHEMBL11659107 0.78 HTR2A (0.45) HTR2AHTR2BHTR2CACP3ADRB2
SCHEMBL11516576 0.78 TRPA1 (0.58) TAAR1LMNASLC6A4ALDH1A1
SCHEMBL11660500 0.75 HTR2A (0.45) HTR2AHTR2BHTR2CACP3ADRB2
SCHEMBL19040917 0.75 HTR2A (0.54) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL1720376 0.75 HTR2A (0.54) HTR2AHTR2BHTR2CACP3TAAR1

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
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