SCHEMBL1957697

SCHEMBL1957697

COCCOCCc1ccc(C(=O)O)c(C(=O)O)c1CCOCCOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
MAPK1 P28482 1/20 0.34
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
ALB P02768 1/20 0.31
RARG P13631 3/20 0.31
CHEK1 O14757 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL153687 0.91 TSHR (0.38) TSHRALDH1A1MAPK1CA12CA1
SCHEMBL17797786 0.89 ALDH1A1 (0.36) TSHRALDH1A1KMT2APTK2BRARA
SCHEMBL7643044 0.89 ALDH1A1 (0.36) TSHRALDH1A1KMT2APTK2BRARA
SCHEMBL658635 0.86 RARB (0.46) TSHRRARARARBRARGPPARG
SCHEMBL7156044 0.85 ALDH1A1 (0.34) TSHRALDH1A1KMT2APTK2BMAPK1
SCHEMBL4843823 0.85 POLB (0.36) TSHRALDH1A1KMT2APTK2BPPARG
SCHEMBL107819 0.84 RARB (0.44) TSHRRARARARBRARGPPARG
SCHEMBL11709479 0.84 RARB (0.42) TSHRRARARARBRARGPPARG
SCHEMBL1498029 0.83 TSHR (0.44) TSHRALDH1A1KMT2APTK2BMAPK1
SCHEMBL10391374 0.81 TSHR (0.49) TSHRALDH1A1KMT2APTK2BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262660-B1 Plasticized poly(vinyl fluoride) DU PONT (US) 1994-02-02 EP claimed
EP-0262660-A1 Plasticized poly(vinyl fluoride) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-06 EP claimed
US-4698382-A USING TRIMETHYL TRIMELLITATE OR DI(METHOXYETHYL) PHTHALATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-06 US claimed
US-20110130222-A1 COMPOSITIONS FOR GOLF EQUIPMENT ACUSHNET COMPANY 2011-06-02 US disclosed
US-7276570-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-10-02 US disclosed
US-7265195-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-09-04 US disclosed
US-7253245-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-08-07 US disclosed
US-7253242-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-08-07 US disclosed
US-20070049685-A1 Thermoplastic polyurethanes LANXESS DEUTSCHLAND GMBH 2007-03-01 US disclosed
EP-1757655-A2 Thermoplastic polyuréthanes Lanxess Deutschland GmbH (DE) 2007-02-28 EP disclosed
US-7105628-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-09-12 US disclosed
US-7053142-B2 Plasticized polyurethanes for use in golf balls ACUSHNET COMPANY (US) 2006-05-30 US disclosed
US-20050272530-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-12-08 US disclosed
WO-1994020569-A1 SHOCK-RESISTANT THERMOPLASTIC MOLDING MATERIALS WITH HIGH IMPACT RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-09-15 WO disclosed
EP-0262660-B1 Plasticized poly(vinyl fluoride) DU PONT (US) 1994-02-02 EP disclosed
EP-0262660-A1 Plasticized poly(vinyl fluoride) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-06 EP disclosed
US-4698382-A USING TRIMETHYL TRIMELLITATE OR DI(METHOXYETHYL) PHTHALATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-06 US disclosed