SCHEMBL9650343

SCHEMBL9650343

CCC(O)COCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.43
SPHK1 Q9NYA1 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LPAR5 Q9H1C0 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
DNM1 Q05193 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LSS P48449 1/20 0.33

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
SCHEMBL7527905 0.90 USP2 (0.44) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL20041604 0.88 HSD17B10 (0.41) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL7204254 0.88 HSD17B10 (0.41) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL19151386 0.84 USP2 (0.58) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL24615028 0.84 USP2 (0.58) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL13108262 0.83 USP2 (0.54) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL13108265 0.83 USP2 (0.59) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL12833042 0.79 USP2 (0.47) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL2609781 0.79 USP2 (0.61) USP2HTTSPHK1HSD17B10LPAR5
SCHEMBL9731460 0.79 USP2 (0.61) USP2HTTSPHK1HSD17B10LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071809-A TERTIARY AMINE CATALYSTS FOR POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-12-10 US claimed
EP-0456194-A2 Tertiary amine catalysts for polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-11-13 EP claimed
US-5091583-A Also provides extended pot life AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-02-25 US disclosed
US-5071809-A TERTIARY AMINE CATALYSTS FOR POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-12-10 US disclosed
EP-0456194-A2 Tertiary amine catalysts for polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-11-13 EP disclosed