SCHEMBL11611586

SCHEMBL11611586

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ACP3 P15309 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ IDO1 P14902 2/20 0.44
▸ CETP P11597 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ EPHX1 P07099 3/20 0.43
▸ PNMT P11086 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL11519063 0.85 HTR2A (0.48) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11515564 0.82 TSHR (0.40) TAAR1IDO1CETPPNMTLMNA
SCHEMBL11616304 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11663079 0.78 HTR2A (0.47) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11514157 0.77 CETP (0.48) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11612227 0.76 TAAR1 (0.53) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11514353 0.73 ACP3 (0.49) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL5272253 0.73 TAAR1 (0.60) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11662620 0.72 HTR2A (0.47) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11611923 0.72 CASR (0.34) TAAR1IDO1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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