SCHEMBL2915987

SCHEMBL2915987

CCCCc1ccc(C#Cc2ccc(-c3ccc(C(=O)C(C)(C)N4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RARB P10826 6/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL13176015 0.89 RARB (0.48) ALDH1A1TSHRRARBTHRATHRB
SCHEMBL13657327 0.89 THRA (0.58) ALDH1A1TSHRMAPK1SMN1; SMN2RARB
SCHEMBL51732 0.85 THRA (0.61) ALDH1A1TSHRMAPK1SMN1; SMN2RARB
SCHEMBL2914565 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL8070009 0.82 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2THRA
SCHEMBL2918327 0.81 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL2911940 0.80 RARB (0.56) ALDH1A1TSHRRARBTHRATHRB
SCHEMBL12437027 0.80 RARB (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2RARB
SCHEMBL2913907 0.80 RARB (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2RARB
SCHEMBL2914899 0.78 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2RARB

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-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 EP disclosed
EP-1388538-A1 Polymerisation Initiator MERCK PATENT GmbH (DE) 2004-02-11 EP disclosed