SCHEMBL9056296

SCHEMBL9056296

CN[C@H]1CCCC[C@@H]1CCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KLK7 P49862 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL24306422 0.82 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL13895147 0.82 EPHX2 (0.38) EPHX2TSHRALDH1A1HSD17B10
SCHEMBL13867649 0.80 EPHX2 (0.41) EPHX2ALDH1A1
SCHEMBL13895126 0.79 HCRTR1 (0.34) EPHX2TSHRALDH1A1HSD17B10
SCHEMBL9014358 0.79 CA1 (0.52) EPHX2TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL6619689 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL6639313 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL6643947 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL29069431 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL6619684 0.77 EPHX2 (0.41) EPHX2TSHRALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002514-A1 UREA AND CARBAMIC ACID DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed