SCHEMBL7724387

SCHEMBL7724387

O=C(O)[C@H]1[C@H]2CCC(=O)[C@@]21Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
POLB P06746 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
SLC1A2 P43004 1/20 0.35
ADAM17 P78536 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL7734171 1.00 SIGMAR1 (0.37) SIGMAR1LMNAHSD11B1ALDH1A1CASP1
SCHEMBL7733044 0.88 HSD17B3 (0.40) HSD11B1POLB
SCHEMBL7735195 0.88 HSD17B3 (0.40) HSD11B1POLB
SCHEMBL7724411 0.86 SMN1; SMN2 (0.38) LMNAHSD11B1ALDH1A1ADAM17
SCHEMBL7735228 0.86 SMN1; SMN2 (0.38) LMNAHSD11B1ALDH1A1ADAM17
SCHEMBL7724395 0.83 KMT2A (0.41) SIGMAR1LMNAHSD11B1ALDH1A1
SCHEMBL7733074 0.82 SIGMAR1 (0.41) SIGMAR1LMNAALDH1A1EPHX1
SCHEMBL7734453 0.82 SIGMAR1 (0.41) SIGMAR1LMNAALDH1A1EPHX1
SCHEMBL7734160 0.74 HSD17B3 (0.42) HSD11B1POLBSLC1A2
SCHEMBL7735197 0.72 HSD11B1 (0.38) LMNAHSD11B1ALDH1A1CASP1HSD17B10

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
US-6407284-B1 CONTACTING WITH ENZYME; HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed