SCHEMBL27636009

SCHEMBL27636009

C=CCOC(=O)c1cccc2c(C(=O)O)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.67
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
RHOA P61586 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
SNCA P37840 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL28138603 0.94 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRHSD17B10NR4A1
SCHEMBL960227 0.93 CYP3A4 (0.76) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL8900925 0.88 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRHSD17B10NR4A1
SCHEMBL15389484 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10NR4A1
SCHEMBL17386427 0.86 CYP3A4 (0.76) CYP3A4ALDH1A1TSHRHSD17B10RHOA
Phthalic Acid SCHEMBL23929049 0.85 CYP3A4 (0.86) CYP3A4ALDH1A1TSHRHSD17B10RHOA
Benzene SCHEMBL7689916 0.85 CYP3A4 (0.86) CYP3A4ALDH1A1TSHRHSD17B10RHOA
Phthalic Acid SCHEMBL710707 0.85 CYP3A4 (0.86) CYP3A4ALDH1A1TSHRHSD17B10RHOA
Phthalic Acid SCHEMBL710708 0.85 CYP3A4 (0.86) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL87635 0.85 CYP3A4 (0.86) CYP3A4ALDH1A1TSHRHSD17B10RHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026444-B Curable composition, transparent heat-resistant material, and use thereof 昭和电工株式会社 2017-05-10 CN disclosed
CN-104245277-A Processes for producing molded cured resin SHOWA DENKO KK 2014-12-24 CN disclosed
CN-101980868-B Cured film and method for production thereof SHOWA DENKO KK (JP) 2013-08-28 CN disclosed
CN-101980868-A Cured film and method for production thereof SHOWA DENKO KK (JP) 2011-02-23 CN disclosed
CN-100527500-C Curable composition, cured product thereof, molded product thereof and use as fuel cell separator SHOWA DENKO KK (JP) 2009-08-12 CN disclosed
CN-1732584-A Curable composition, cured product thereof, molded product thereof, and use thereof as fuel cell separator SHOWA DENKO KK (JP) 2006-02-08 CN disclosed