SCHEMBL11369294

SCHEMBL11369294

CCOC(=O)C(C)(C)c1cccc(C(=O)CCC(C)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ SETD7 Q8WTS6 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL11382507 0.89 SETD7 (0.38) OPRD1SETD7
SCHEMBL6450278 0.86 ALDH1A1 (0.35) OPRD1OPRK1MEN1ALDH1A1MAPT
SCHEMBL4580935 0.76 OPRM1 (0.44) OPRD1OPRK1MEN1ALDH1A1MAPT
SCHEMBL11382034 0.74 OPRK1 (0.50) OPRD1OPRK1
Hydrochloric Acid SCHEMBL11380464 0.73 OPRK1 (0.49) OPRD1OPRK1
SCHEMBL29342594 0.70 POLB (0.47) KMT2A
SCHEMBL31072774 0.70 POLB (0.47) KMT2A
SCHEMBL1969399 0.70 LMNA (0.51) OPRD1OPRK1SETD7MEN1ALDH1A1
SCHEMBL13477414 0.67 PARP1 (0.47) MAPTKMT2A
SCHEMBL395978 0.66 PIN1 (0.54) MEN1ALDH1A1MAPTKMT2A

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-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
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