SCHEMBL6977880

SCHEMBL6977880

CCOC(=O)CCc1cccc2c1O2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.59
CYP4A11 Q02928 3/20 0.59
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PTPN1 P18031 2/20 0.42
NLRP3 Q96P20 2/20 0.41
CDYL Q9Y232 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8482051 0.84 MTNR1A (0.55) CYP4F2CYP4A11ALDH1A1GAAPOLB
SCHEMBL8481900 0.83 MTNR1A (0.57) CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL69660 0.80 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL16466810 0.79 MTNR1A (0.40) CYP4F2CYP4A11ALDH1A1GAAPOLB
SCHEMBL6153836 0.78 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8946082 0.77 PTGER1 (0.46) ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL28008696 0.77 CYP4F2 (0.81) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8479155 0.76 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8478351 0.76 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL13948404 0.76 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2

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-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed