SCHEMBL3937565

SCHEMBL3937565

CCC(Nc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
NR3C2 P08235 1/20 0.39
CYP2C19 P33261 2/20 0.39
KCNN4 O15554 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27650983 0.84 CYP1A2 (0.39) MAPTGAARAB9AKMT2AALDH1A1
SCHEMBL28232341 0.82 CYP2C19 (0.47) MAPTGAARAB9AKMT2AALDH1A1
SCHEMBL4450821 0.81 KCNN4 (0.43) HDAC1MAPTKMT2AALDH1A1MEN1
SCHEMBL14306296 0.81 KCNN4 (0.43) HDAC1MAPTKMT2AALDH1A1MEN1
SCHEMBL11867573 0.81 HDAC1 (0.37) HDAC1MAPTGAARAB9AKMT2A
SCHEMBL7138303 0.80 EPHX1 (0.48) MAPTGAARAB9AKMT2AALDH1A1
SCHEMBL4943741 0.80 CYP1A2 (0.46) HDAC1MAPTKMT2AALDH1A1MEN1
SCHEMBL9829581 0.79 CXCR2 (0.42) HDAC1MAPTKMT2AALDH1A1CYP2C19
SCHEMBL9829583 0.79 CXCR2 (0.42) HDAC1MAPTKMT2AALDH1A1CYP2C19
SCHEMBL8038268 0.77 ALDH1A1 (0.39) HDAC1MAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed