SCHEMBL12110487

SCHEMBL12110487

CCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(CCCC)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.53
CNR2 P34972 1/20 0.51
RARB P10826 6/20 0.49
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL10042887 1.00 HSD11B1 (0.53) HSD11B1CNR2RARBALDH1A1MEN1
SCHEMBL12601042 1.00 HSD11B1 (0.53) HSD11B1CNR2RARBALDH1A1MEN1
SCHEMBL12669131 1.00 HSD11B1 (0.53) HSD11B1CNR2RARBALDH1A1MEN1
SCHEMBL18884737 1.00 HSD11B1 (0.53) HSD11B1CNR2RARBALDH1A1MEN1
SCHEMBL10042899 0.97 HSD11B1 (0.56) HSD11B1CNR2RARBALDH1A1MEN1
SCHEMBL15681411 0.95 HSD11B1 (0.54) HSD11B1CNR2RARBALDH1A1MEN1
SCHEMBL12831536 0.95 CNR2 (0.55) HSD11B1CNR2ALDH1A1MEN1KMT2A
SCHEMBL13197732 0.95 CNR2 (0.55) HSD11B1CNR2ALDH1A1MEN1KMT2A
SCHEMBL10042897 0.95 CNR2 (0.55) HSD11B1CNR2ALDH1A1MEN1KMT2A
SCHEMBL258192 0.93 RARB (0.50) HSD11B1CNR2RARBALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053150-B2 Thiobis(thioformate) containing photoconductors XEROX CORPORATION (US) 2011-11-08 US disclosed
US-8053150-B2 Thiobis(thioformate) containing photoconductors XEROX CORPORATION (US) 2011-11-08 US disclosed
US-20100068637-A1 THIOBIS(THIOFORMATE) CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-03-18 US disclosed
US-20100068637-A1 THIOBIS(THIOFORMATE) CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-03-18 US disclosed