SCHEMBL9065461

SCHEMBL9065461

CCCCCCC(OC(=O)c1ccccc1C(=O)OCC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TSHR P16473 6/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CA2 P00918 1/20 0.48
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UTS2R Q9UKP6 2/20 0.43

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
Diethyl Phthalate SCHEMBL8500613 0.91 ALDH1A1 (0.56) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL225447 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL1456600 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL223434 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL227559 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL225155 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL223459 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL29688464 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL226203 0.90 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL1959729 0.88 ALDH1A1 (0.56) ALDH1A1PRSS1PRSS2PRSS3TSHR

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
EP-0398928-B1 THERMOPLASTIC POLYOLEFIN COMPOSITE STRUCTURE DU PONT (US) 1996-06-12 EP disclosed
US-5055346-A Glossy, clear thermoplastic overcoat, acrylic paint containing pigments, and flexible thermoforming layer ROHRBACHER FRANK (US) 1991-10-08 US disclosed
EP-0398928-A1 THERMOPLASTIC POLYOLEFIN COMPOSITE STRUCTURE. DU PONT (US) 1990-11-28 EP disclosed
US-4936936-A USED FOR EXTERIOR VEHICLE BODY PARTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-26 US disclosed
US-4902557-A EXTERIOR AUTO OR TRUCK BODY PARTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-20 US disclosed
WO-1989006598-A1 THERMOPLASTIC POLYOLEFIN COMPOSITE STRUCTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-27 WO disclosed