SCHEMBL11660372

SCHEMBL11660372

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.39
▸ HTR3E A5X5Y0 3/20 0.39
▸ HTR3B O95264 3/20 0.39
▸ HTR3A P46098 3/20 0.39
▸ HTR3D Q70Z44 3/20 0.39
▸ HTR3C Q8WXA8 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PYCR1 P32322 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ AGXT P21549 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ AOC3 Q16853 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 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
SCHEMBL11659464 0.85 NR3C1 (0.43) PNMTRIPK1NR3C1TAAR1HTR3E
SCHEMBL11662934 0.80 SLC6A2 (0.45) TAAR1RECQLCYP3A4
SCHEMBL11659107 0.79 HTR2A (0.45) TAAR1IDO1MAOB
SCHEMBL8324906 0.78 MAOB (0.52) PNMTRIPK1NR3C1TAAR1HTR3E
SCHEMBL11667803 0.78 RIPK1 (0.48) PNMTRIPK1NR3C1TAAR1HTR3E
SCHEMBL11613482 0.77 TSHR (0.43) PNMTRIPK1TAAR1HTR3EHTR3B
SCHEMBL28477012 0.76 PNMT (0.48) PNMTRIPK1NR3C1TAAR1HTR3E
SCHEMBL11659390 0.76 HTR3E (0.44) PNMTRIPK1NR3C1TAAR1HTR3E
SCHEMBL11663860 0.75 TAAR1 (0.46) PNMTRIPK1TAAR1HTR3EHTR3B
SCHEMBL73643 0.74 PNMT (0.54) PNMTRIPK1TAAR1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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