SCHEMBL9019752

SCHEMBL9019752

CCCOCC(COCCC)OCOC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LMNA P02545 1/20 0.37
LPAR2 Q9HBW0 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
USP2 O75604 1/20 0.34
PRKCA P17252 2/20 0.34
HTT P42858 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
SCHEMBL9463412 0.91 ALDH1A1 (0.53) ALDH1A1TSHRLPAR1LPAR3LPAR2
SCHEMBL9463771 0.85 NAAA (0.46) ALDH1A1HSD17B10TDP1LPAR1LPAR3
SCHEMBL10105551 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRTDP1LPAR1
SCHEMBL9019745 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1LPAR1
SCHEMBL11258229 0.84 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRTDP1LMNA
SCHEMBL10683643 0.80 USP2 (0.50) LPAR1LPAR3LPAR2PLA2G2CUSP2
SCHEMBL9019825 0.80 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRTDP1LMNA
SCHEMBL3392461 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1LMNA
SCHEMBL2466001 0.80 TDP1 (0.42) ALDH1A1HSD17B10TSHRTDP1LMNA
SCHEMBL9575535 0.80 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0448006-B1 Process for the preparation of acylales HOECHST AG (DE) 1995-01-25 EP disclosed
US-5231221-A PROCESS FOR THE PREPARATION OF ACYLALS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
EP-0448006-A2 Process for the preparation of acylales HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed