SCHEMBL9065458

SCHEMBL9065458

CCCCCCc1ccccc1COC(=O)c1ccccc1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ALDH1A1 P00352 7/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 3/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
POLB P06746 1/20 0.48
NOD2 Q9HC29 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL1456598 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL226202 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL225154 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL227558 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL223433 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL225446 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL223458 0.96 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL82573 0.90 TSHR (0.60) TSHRALDH1A1LMNACYP3A4MAPK1
Diethyl Phthalate SCHEMBL8500607 0.89 TSHR (0.55) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL3949422 0.88 TSHR (0.61) TSHRALDH1A1LMNACYP3A4MAPK1

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