SCHEMBL25070640

SCHEMBL25070640

CC(C)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCC(C)C)c(OCC(C)C)c5)s4)c4nsnc34)c(F)c2)cc1OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ AAK1 Q2M2I8 10/20 0.34
▸ DHODH Q02127 2/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ XDH P47989 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ ALOX5AP P20292 3/20 0.31
▸ FEN1 P39748 3/20 0.31

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
SCHEMBL25070639 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25070536 0.83 AAK1 (0.37) ALDH1A1GAAAAK1DHODHCYP3A4
SCHEMBL22238937 0.83 CYP2C19 (0.41) ALDH1A1AAK1CYP3A4
SCHEMBL20806064 0.76 NR1H4 (0.42) ALDH1A1GAAAAK1CYP3A4XDH
SCHEMBL21537527 0.75 APP (0.39) ALDH1A1GAACYP3A4
SCHEMBL22299384 0.74 RARA (0.36) ALDH1A1AAK1CYP3A4
SCHEMBL26500068 0.73 HSD17B1 (0.50) CYP3A4
SCHEMBL20806068 0.72 NR1H4 (0.36) ALDH1A1GAAAAK1XDH
SCHEMBL22241014 0.72 APP (0.39) ALDH1A1GAACYP3A4ALOX5APFEN1
SCHEMBL18418543 0.72 RARA (0.36) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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