SCHEMBL20143725

SCHEMBL20143725

COc1cccc(OCC2CCCCC2)c1-c1ccccc1PC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MCHR1 Q99705 3/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL2463060 0.89 SMN1; SMN2 (0.40) HPGDSMN1; SMN2
SCHEMBL29676737 0.89 SMN1; SMN2 (0.40) HPGDSMN1; SMN2
SCHEMBL16406236 0.82 SMN1; SMN2 (0.36) HPGDSMN1; SMN2
SCHEMBL26612682 0.79 HTR1A (0.38) HPGDSMN1; SMN2
SCHEMBL18323806 0.78 SMN1; SMN2 (0.43) HPGDSMN1; SMN2
SCHEMBL6845758 0.75 CA1 (0.39)
SCHEMBL29732937 0.75 CA1 (0.39)
SCHEMBL28824637 0.75 SMN1; SMN2 (0.45) HPGDSMN1; SMN2
SCHEMBL20893665 0.74 HTR7 (0.32) HPGDSMN1; SMN2
SCHEMBL15381140 0.74 POLL (0.39) HPGDSMN1; 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
US-9972793-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-05-15 US disclosed