SCHEMBL8934337

SCHEMBL8934337

CCCCCC(COC(C)=O)COC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
LMNA P02545 2/20 0.45
ZDHHC7 Q9NXF8 1/20 0.44
CA2 P00918 1/20 0.44
FAAH O00519 2/20 0.42
RECQL P46063 1/20 0.41
PRKCA P17252 3/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL18723036 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL17676317 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL18856287 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL30522611 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL4582699 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL19025446 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL19025418 0.94 PRSS1 (0.51) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL3859828 0.92 TSHR (0.47) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL28748130 0.92 CYP3A4 (0.61) ALDH1A1TSHRCYP3A4ATMTDP1
Ammonia Solution, Strong SCHEMBL28600923 0.92 PRSS1 (0.50) ALDH1A1TSHRCYP3A4ATMTDP1

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-0730576-A1 NOVEL CARBAMATE COMPOUNDS AND PROCESSES FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-09-11 EP disclosed
WO-1996009284-A1 NOVEL CARBAMATE COMPOUNDS AND PROCESSES FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-03-28 WO disclosed