SCHEMBL11613482

SCHEMBL11613482

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PNMT P11086 2/20 0.42
▸ RIPK1 Q13546 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ TAAR1 Q96RJ0 4/20 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
▸ TRPA1 O75762 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PYCR1 P32322 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
SCHEMBL11515564 0.82 TSHR (0.40) TSHRRECQLPNMTTAAR1HTR3E
SCHEMBL11665135 0.81 PNMT (0.41) TSHRRECQLPNMTTAAR1ENPP2
SCHEMBL11516576 0.80 TRPA1 (0.58) RECQLRIPK1CASRTAAR1TRPA1
SCHEMBL11519063 0.79 HTR2A (0.48) TAAR1
SCHEMBL11614808 0.79 PNMT (0.46) TSHRRECQLPNMTRIPK1TAAR1
SCHEMBL11660372 0.77 PNMT (0.41) TSHRRECQLPNMTRIPK1TAAR1
SCHEMBL11517656 0.77 TSHR (0.44) TSHRRECQLPNMTRIPK1TAAR1
SCHEMBL8324906 0.73 MAOB (0.52) TSHRRECQLPNMTRIPK1TAAR1
SCHEMBL73643 0.73 PNMT (0.54) TSHRRECQLPNMTRIPK1TAAR1
SCHEMBL28477012 0.72 PNMT (0.48) TSHRRECQLPNMTRIPK1TAAR1

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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