SCHEMBL11515564

SCHEMBL11515564

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PNMT P11086 2/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.38
▸ HTR3E A5X5Y0 2/20 0.38
▸ HTR3B O95264 2/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ HTR3D Q70Z44 2/20 0.38
▸ HTR3C Q8WXA8 2/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ CETP P11597 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ AGXT P21549 1/20 0.37

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
SCHEMBL11613482 0.82 TSHR (0.43) TSHRRECQLPNMTTAAR1HTR3E
SCHEMBL11611586 0.82 HTR2A (0.46) PNMTTAAR1CETPKMT2ALMNA
SCHEMBL11516569 0.80 TRPA1 (0.41) TSHRTAAR1CETPKMT2ALMNA
SCHEMBL11611733 0.80 TAAR1 (0.42) TSHRRECQLPNMTTAAR1HTR3E
SCHEMBL11662003 0.78 PNMT (0.40) TSHRRECQLPNMTTAAR1HCAR2
SCHEMBL11613112 0.77 HTR3E (0.42) TSHRRECQLPNMTTAAR1HTR3E
SCHEMBL11665877 0.76 TAAR1 (0.41) TSHRRECQLPNMTTAAR1HTR3E
SCHEMBL11516606 0.73 PNMT (0.43) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL10451551 0.73 PNMT (0.54) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL11611923 0.72 CASR (0.34) TAAR1CYP3A4IDO1AGXT

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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