SCHEMBL2938396

SCHEMBL2938396

CCCc1c(C)ccc2c1C(CO)c1cc(C)ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9449382 0.77 TRPM5 (0.37) HSD17B10ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL9544149 0.73 TDO2 (0.36) HSD17B10ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL9449414 0.69 HRH3 (0.46) HSD17B10ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL14396288 0.68 MAP2K4 (0.35) HSD17B10ALDH1A1NPC1
SCHEMBL14327287 0.68 ALDH1A1 (0.36) HSD17B10TSHRALDH1A1HPGDKDM4E
SCHEMBL2938397 0.68 GABRA1 (0.38) SLC5A1SLC5A2ALDH1A1HPGDKMT2A
SCHEMBL8917213 0.66 MAOA (0.37) HSD17B10ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL18215229 0.65 TRPM5 (0.31) ALDH1A1
SCHEMBL19194212 0.64 SNCA (0.40) HSD17B10ALDH1A1CYP1A2KDM4EKMT2A
SCHEMBL17067722 0.63 CNR1 (0.38) NPC1

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
EP-1411067-B1 POLYMER HAVING UNIQUE OPTICAL PROPERTY JAPAN SCIENCE & TECH AGENCY (JP) 2010-09-22 EP disclosed
US-7323538-B2 Polymer having unique optical property and polymerizable monomer therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-01-29 US disclosed
US-20040132963-A1 Polymer having unique optical property and polymerizable monomer therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-07-08 US disclosed
EP-1411067-A1 POLYMER HAVING UNIQUE OPTICAL PROPERTY AND POLYMERIZABLE MONOMER THEREFOR Japan Science and Technology Corporation (JP) 2004-04-21 EP disclosed