SCHEMBL12779463

SCHEMBL12779463

CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(CCCC)cc5)c5ccccc5C)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
CNR2 P34972 1/20 0.43
RARB P10826 7/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SKP2 Q13309 1/20 0.36
MEN1 O00255 1/20 0.35
RARA P10276 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 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
SCHEMBL12638249 0.94 HSD11B1 (0.48) HSD11B1CNR2RARBCA1CA2
SCHEMBL258162 0.94 HSD11B1 (0.48) HSD11B1CNR2RARBCA1CA2
SCHEMBL919859 0.93 HSD11B1 (0.47) HSD11B1CNR2RARBCA1CA2
SCHEMBL13422650 0.92 HSD11B1 (0.46) HSD11B1CNR2RARBCA1CA2
SCHEMBL12533893 0.91 HSD11B1 (0.48) HSD11B1CNR2RARBCA1CA2
SCHEMBL14594235 0.90 CA2 (0.44) HSD11B1CNR2CA1CA2HSD17B10
SCHEMBL2539038 0.90 CA2 (0.44) HSD11B1CNR2CA1CA2HSD17B10
SCHEMBL20057200 0.88 HSD11B1 (0.43) HSD11B1RARBCA1CA2NPC1
SCHEMBL12601042 0.87 HSD11B1 (0.53) HSD11B1CNR2RARBCA1CA2
SCHEMBL12110487 0.87 HSD11B1 (0.53) HSD11B1CNR2RARBCA1CA2

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
US-20110053065-A1 PLASTICIZER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2011-03-03 US disclosed
US-20110053065-A1 PLASTICIZER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2011-03-03 US disclosed