SCHEMBL10767167

SCHEMBL10767167

CC(C)CCCCC(=O)N1CCCCC1C(=O)O.CCCCCC(=O)N1CCCCC1C(=O)O.CCCCCCCCCC(=O)N1CCCCC1C(=O)O.CCCCCCCCCCCC(=O)N1CCCCC1C(=O)O.CCCCCCCCCCCCCC(=O)N1CCCCC1C(=O)O.CCCCCCCCCCCCCCCC(=O)N1CCCCC1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.49
▸ ACE2 Q9BYF1 3/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ REN P00797 1/20 0.47

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
SCHEMBL5654346 0.91 ACE (0.56) ACEACE2MAPTREN
SCHEMBL5035700 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL10537401 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL5035966 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL5035703 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL5040361 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL10537420 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL9222332 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL5042595 0.91 ACE (0.53) ACEACE2MEN1KMT2A
SCHEMBL5040468 0.91 ACE (0.53) ACEACE2MEN1KMT2A

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
EP-0240554-A1 TRANSDERMAL AND SYSTEMIC PREPARATION AND METHOD RAJADHYAKSHA, Vithal J. (US) 1987-10-14 — — EP disclosed
WO-1987001935-A1 TRANSDERMAL AND SYSTEMIC PREPARATION AND METHOD RAJADHYAKSHA VITHAL J 1987-04-09 — — WO disclosed
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