SCHEMBL9502490

SCHEMBL9502490

CCCCOCC(OCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
LPAR1 Q92633 4/20 0.42
LPAR3 Q9UBY5 4/20 0.42
LPAR2 Q9HBW0 1/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.39
SPHK1 Q9NYA1 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL28534846 0.92 TSHR (0.39) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL1189492 0.89 LPAR1 (0.37) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL582639 0.89 LPAR1 (0.37) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL9637326 0.89 TSHR (0.56) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL8143953 0.88 TSHR (0.41) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL1608588 0.88 LPAR1 (0.36) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL9637324 0.87 TSHR (0.58) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL15414996 0.87 LPAR1 (0.38) TSHRUSP2LPAR1LPAR3LPAR2
SCHEMBL14958388 0.87 USP2 (0.55) USP2LPAR1LPAR3LPAR2HTT
SCHEMBL25400909 0.86 TDP1 (0.52) TSHRUSP2LPAR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359118-B1 METHOD FOR THE PRODUCTION OF 1,1,2-TRIALKOXYETHANES BASF Aktiengesellschaft (DE) 1993-06-09 EP disclosed
US-5105022-A Reacting in the presence of an acidic zeolite and/or a phosphate of zirconium, iron or aluminum; high conversion and catalyst selectivity BASF AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0302486-B1 PROCESS FOR THE PRODUCTION OF 1,2-DIALKOXYETHENES BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-4947005-A HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed
EP-0359118-A2 Method for the production of 1,1,2-trialkoxyethanes BASF Aktiengesellschaft (DE) 1990-03-21 EP disclosed
EP-0302486-A1 Process for the production of 1,2-dialkoxyethenes BASF Aktiengesellschaft (DE) 1989-02-08 EP disclosed
US-4617287-A CATALYST SELECTIVITY SUN REFINING AND MARKETING COMPANY (US) 1986-10-14 US disclosed