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SCHEMBL12187058

SCHEMBL12187058

CC(C)C(C)C1CC=CC=C1c1ccccc1-c1cc(C(=O)c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)cc(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP46A1 Q9Y6A2 1/20 0.32
▸ KMO O15229 1/20 0.31
▸ UCHL5 Q9Y5K5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL133393 0.71 KMO (0.50) ALDH1A1KMOSMN1; SMN2
SCHEMBL12187051 0.70 KMO (0.40) KMOPOLBSMN1; SMN2
SCHEMBL23369374 0.66 BRD4 (0.37) —
SCHEMBL12551711 0.66 KMO (0.52) ALDH1A1KMOPOLBSMN1; SMN2
SCHEMBL132892 0.65 GABRA1 (0.53) GABRA1GABRB1
SCHEMBL12551790 0.64 KMO (0.50) KMOSMN1; SMN2
SCHEMBL23938724 0.64 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL132010 0.63 PLA2G7 (0.43) ALDH1A1
SCHEMBL12551316 0.63 MMP2 (0.47) ALDH1A1KMOKDM4E
SCHEMBL12551724 0.63 ATM (0.48) ALDH1A1KMOKDM4ESMN1; SMN2

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
WO-2011141109-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-11-17 — — WO disclosed
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