SCHEMBL10519976

SCHEMBL10519976

CCCCCCCCCCCCCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.58
▸ ITGA2B P08514 1/20 0.58
▸ GRIA1 P42261 1/20 0.58
▸ HDAC1 Q13547 6/20 0.54
▸ HDAC6 Q9UBN7 6/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ CHRND Q07001 5/20 0.53
▸ CHRNA1 P02708 1/20 0.53
▸ CHRNG P07510 1/20 0.53
▸ CHRNB1 P11230 1/20 0.53

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
SCHEMBL10521367 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL6651343 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL6650599 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL6651722 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL6650597 1.00 ITGB3 (0.58) ITGB3ITGA2BGRIA1HDAC1HDAC6
SCHEMBL12309199 0.93 GRIA1 (0.51) ITGB3ITGA2BGRIA1CNR1CHRND
SCHEMBL18220518 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6
SCHEMBL14472192 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6
SCHEMBL2337076 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6
SCHEMBL27910970 0.90 HDAC1 (0.66) GRIA1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4844884-A TYROSINE DERIVATIVES AND ADENOSINE-5'-PHOSPHATES INDUCHEM AG (CH) 1989-07-04 — — US claimed
US-4844884-A TYROSINE DERIVATIVES AND ADENOSINE-5'-PHOSPHATES INDUCHEM AG (CH) 1989-07-04 — — US disclosed
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