SCHEMBL11659107

SCHEMBL11659107

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ ACP3 P15309 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ IDO1 P14902 2/20 0.43
▸ EPHX1 P07099 4/20 0.42
▸ MAOB P27338 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 2/20 0.39

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
SCHEMBL11660500 0.88 HTR2A (0.45) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11663131 0.81 TAAR1 (0.38) TAAR1IDO1MAOBALDH1A1
SCHEMBL19040917 0.79 HTR2A (0.54) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL1720376 0.79 HTR2A (0.54) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11660372 0.79 PNMT (0.41) TAAR1IDO1MAOB
SCHEMBL11519063 0.78 HTR2A (0.48) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11659440 0.78 HTR2A (0.46) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11662934 0.77 SLC6A2 (0.45) TAAR1LMNAMAPTALDH1A1
SCHEMBL11663509 0.77 TAAR1 (0.51) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL11611410 0.76 HTR2A (0.47) HTR2AHTR2BHTR2CACP3TAAR1

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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