SCHEMBL7632452

SCHEMBL7632452

CCOC(=O)OC1CCCCC1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 6/20 0.43
SOAT1 P35610 1/20 0.40
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 2/20 0.35
EPHX1 P07099 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL1079540 0.88 ALDH1A1 (0.50) ALDH1A1SOAT1TSHRHSD17B10LMNA
SCHEMBL14991303 0.84 CYP19A1 (0.47) CYP19A1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL14991573 0.84 CYP19A1 (0.47) CYP19A1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL14991588 0.84 CYP19A1 (0.47) CYP19A1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL26393466 0.82 CYP19A1 (0.46) CYP19A1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL1078000 0.81 ALDH1A1 (0.43) ALDH1A1SOAT1TSHRATMTHRB
SCHEMBL1078609 0.81 ALDH1A1 (0.39) ALDH1A1SOAT1TSHRHPGDATM
SCHEMBL7270086 0.80 ALDH1A1 (0.41) ALDH1A1SOAT1TSHRHSD17B10LMNA
SCHEMBL29315120 0.80 ALDH1A1 (0.41) ALDH1A1SOAT1TSHRATMTHRB
SCHEMBL29315096 0.80 ALDH1A1 (0.41) ALDH1A1SOAT1TSHRHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed