SCHEMBL3434702

SCHEMBL3434702

O=C(O)c1ccc(C(=O)OC(OC(=O)c2ccc(C(=O)O)cc2)C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SRD5A2 P31213 2/20 0.46
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
KMT2A Q03164 3/20 0.43
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HCAR3 P49019 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL300467 0.91 TSHR (0.44) LMNASRD5A2KMT2APDCD1CD274
SCHEMBL23466843 0.90 LMNA (0.47) LMNACYP1A2CYP2D6SCN1ASCN2A
Ethylene SCHEMBL4958480 0.88 TSHR (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL14677744 0.85 LMNA (0.52) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL23466842 0.82 CYP1A2 (0.48) LMNACYP1A2CYP2D6SCN1ASCN2A
Ethylene SCHEMBL789398 0.82 SRD5A2 (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL842289 0.78 LMNA (0.58) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL6920980 0.77 LMNA (0.54) LMNACYP1A2CYP2D6SCN1ASCN2A
Terephthalic Acid SCHEMBL11642635 0.77 SRD5A2 (0.53) SRD5A2EPHX2EPHX1KMT2ATP53
SCHEMBL7311860 0.77 KMT2A (0.56) LMNASRD5A2EPHX2EPHX1KMT2A

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-107531983-A Fibrillated dynamically crosslinked polymer compositions and methods of making and using the same 沙特基础工业全球技术公司 2018-01-02 CN disclosed
EP-2257978-A1 METHOD FOR INTEGRATING HEAT TRANSFER MEMBERS, AND AN LED DEVICE E. I. du Pont de Nemours and Company (US) 2010-12-08 EP disclosed
WO-2009124158-A1 METHOD FOR INTEGRATING HEAT TRANSFER MEMBERS, AND AN LED DEVICE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-08 WO disclosed
EP-0502960-A1 FILM LAMINATE EASTMAN KODAK COMPANY (US) 1992-09-16 EP disclosed
US-5034263-A Polyesters EASTMAN KODAK COMPANY (US) 1991-07-23 US disclosed
WO-1991008107-A1 FILM LAMINATE EASTMAN KODAK COMPANY (US) 1991-06-13 WO disclosed