SCHEMBL11665135

SCHEMBL11665135

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ AGXT P21549 2/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.37
▸ MAOB P27338 4/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PYCR1 P32322 1/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL11662003 0.86 PNMT (0.40) PNMTCYP3A4IDO1AGXTNR3C1
SCHEMBL11659374 0.81 TRPA1 (0.47) CYP3A4TAAR1MAOBTSHR
SCHEMBL11613482 0.81 TSHR (0.43) PNMTTAAR1ENPP2PKMTSHR
SCHEMBL11662620 0.80 HTR2A (0.47) IDO1TAAR1MAOB
SCHEMBL11662794 0.77 PNMT (0.41) PNMTCYP3A4IDO1AGXTNR3C1
SCHEMBL11661775 0.73 RELA (0.35) MAOB
SCHEMBL11663075 0.72 CASR (0.35) IDO1AGXTNR3C1MAOB
SCHEMBL11663043 0.72 IDO1 (0.49) PNMTCYP3A4IDO1AGXTTAAR1
SCHEMBL11614808 0.72 PNMT (0.46) PNMTCYP3A4IDO1AGXTTAAR1
SCHEMBL73643 0.71 PNMT (0.54) PNMTCYP3A4IDO1AGXTTAAR1

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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