SCHEMBL9298517

SCHEMBL9298517

CCCCCCC(OCCC)(OCCC)C(=O)c1ccccc1.COC(C)(OC)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.40
▸ CES2 O00748 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ PRSS1 P07477 2/20 0.38
▸ CTSG P08311 2/20 0.38
▸ CTRB1 P17538 2/20 0.38
▸ CMA1 P23946 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 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
SCHEMBL7589437 0.91 CES2 (0.46) CES1CES2LMNANAAAPRSS1
SCHEMBL9015197 0.84 CES1 (0.47) CES1CES2LMNANAAAPRSS1
SCHEMBL28575903 0.84 CES1 (0.47) CES1CES2LMNANAAAPRSS1
SCHEMBL2543709 0.82 CES1 (0.47) CES1CES2LMNANAAAPRSS1
SCHEMBL6753621 0.77 CES1 (0.44) CES1CES2LMNANAAAPRSS1
SCHEMBL3661644 0.76 CES1 (0.60) CES1CES2LMNAPRSS1CTSG
SCHEMBL8083975 0.76 CES1 (0.47) CES1CES2NAAAPRSS1CTSG
SCHEMBL4591841 0.74 CES1 (0.47) CES1CES2LMNANAAAPRSS1
SCHEMBL11664524 0.73 CES1 (0.51) CES1CES2NAAAPRSS1CTSG
SCHEMBL11782068 0.73 CES1 (0.51) CES1CES2NAAAPRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621931-A1 VIBRATION DAMPING CONSTRUCTIONS USING ACRYLATE-CONTAINING DAMPING MATERIALS. MINNESOTA MINING & MFG (US) 1994-11-02 — — EP disclosed
WO-1993015333-A2 VIBRATION DAMPING CONSTRUCTIONS USING ACRYLATE-CONTAINING DAMPING MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 — — WO disclosed
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