SCHEMBL1736197

SCHEMBL1736197

Cc1ccc(OCc2nccc3c(C)c(C)n(CC4CC4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CNR2 P34972 1/20 0.32

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
Hydrochloric Acid SCHEMBL1738059 0.99 KDM4E (0.35) KDM4ELMNAGAAHPGDALDH1A1
SCHEMBL1737571 0.92 CYP1A2 (0.41) NPC1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL1739294 0.91 NPY1R (0.35) KDM4EHPGDALDH1A1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL1737480 0.91 CYP1A2 (0.40) NPC1RAB9AMAPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1736428 0.90 NPY1R (0.35) KDM4EHPGDALDH1A1TP53NPSR1
SCHEMBL1736970 0.86 KDM4E (0.36) KDM4ENPC1RAB9AMAPTADORA3
Hydrochloric Acid SCHEMBL1736329 0.85 KDM4E (0.35) KDM4ENPC1RAB9AMAPTADORA3
SCHEMBL1736040 0.84 L3MBTL1 (0.36) LMNAGAAHPGDNPC1RAB9A
SCHEMBL1739295 0.84 RAB9A (0.45) LMNAHPGDNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL1736759 0.84 L3MBTL1 (0.35) LMNAGAAHPGDNPC1RAB9A

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
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed