SCHEMBL2051840

SCHEMBL2051840

CCc1ccc(-c2ccc3c(c2)[CH]c2cc(-c4ccc(CC)cc4)ccc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
UCHL1 P09936 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
BCL2 P10415 1/20 0.36
TP53 P04637 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
METAP2 P50579 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
SCHEMBL2045018 0.84 MCL1 (0.46) NPC1MAPTRAB9AHRH3LPL
SCHEMBL2047278 0.82 BCL2 (0.51) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL2035849 0.82 ALDH1A1 (0.47) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL2048604 0.81 RARB (0.49) ALDH1A1MAPTNISCHBDKRB2
SCHEMBL1702558 0.76 TP53 (0.56) ALDH1A1MAPK1SMN1; SMN2L3MBTL1EGFR
SCHEMBL2776957 0.76 TP53 (0.56) ALDH1A1MAPK1SMN1; SMN2L3MBTL1EGFR
SCHEMBL2051093 0.76 CA12 (0.41) NPC1ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL27725019 0.75 ALDH1A1 (0.41) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL19423242 0.74 RXRA (0.48) ALDH1A1EGFRUCHL1TP53TAAR1
SCHEMBL3065370 0.73 ALDH1A1 (0.53) NPC1ALDH1A1LMNAMAPTMAPK1

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-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed