SCHEMBL2362998

SCHEMBL2362998

CCCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCCC)cc4)c4ccccc4C)cc3-c3ccccc3)cc2)c2ccccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
PSMB5 P28074 1/20 0.43
RARB P10826 4/20 0.42
LTB4R2 Q9NPC1 1/20 0.36
BRS3 P32247 2/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.35
SKP2 Q13309 1/20 0.35
CNR2 P34972 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL3948790 1.00 HSD11B1 (0.45) HSD11B1PSMB5RARBLTB4R2BRS3
SCHEMBL3952262 0.90 HSD11B1 (0.42) HSD11B1PSMB5RARBLTB4R2BRS3
SCHEMBL1345833 0.86 HSD11B1 (0.48) HSD11B1PSMB5RARBLTB4R2BRS3
SCHEMBL258162 0.86 HSD11B1 (0.48) HSD11B1RARBALDH1A1HPGDHSD17B10
SCHEMBL12638249 0.86 HSD11B1 (0.48) HSD11B1RARBALDH1A1HPGDHSD17B10
SCHEMBL4883476 0.84 SKP2 (0.36) HSD11B1PSMB5RARBLTB4R2ALDH1A1
SCHEMBL2539038 0.84 CA2 (0.44) HSD11B1BCHEALDH1A1HPGDHSD17B10
SCHEMBL14594235 0.84 CA2 (0.44) HSD11B1BCHEALDH1A1HPGDHSD17B10
SCHEMBL17366495 0.83 HSD11B1 (0.49) HSD11B1PSMB5RARBLTB4R2BRS3
SCHEMBL13422650 0.83 HSD11B1 (0.46) HSD11B1RARBALDH1A1HPGDHSD17B10

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-8003289-B2 Ferrocene containing photoconductors XEROX CORPORATION (US) 2011-08-23 US claimed