SCHEMBL7313860

SCHEMBL7313860

CCOC(=O)[C@@H]1CCc2ccc(OC)cc2O1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
ALDH1A1 P00352 5/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1B P49286 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
MTNR1A P48039 4/20 0.42
NQO2 P16083 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL7313848 1.00 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1FFAR1MEN1
SCHEMBL7313853 1.00 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1FFAR1MEN1
SCHEMBL24496702 0.88 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1FFAR1MEN1
SCHEMBL29587184 0.88 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1FFAR1MEN1
SCHEMBL10808822 0.87 ALDH1A1 (0.47) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL12660944 0.86 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL7082197 0.85 CYP4F2 (0.55) CYP4F2CYP4A11FFAR1MTNR1BPPARG
SCHEMBL1019684 0.85 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL9838425 0.85 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL9837746 0.85 CYP4F2 (0.62) CYP4F2CYP4A11

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
US-5684039-A Chroman-2-ylmethylamino derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US disclosed
US-5670667-A DOPAMINE INHIBITORS FOR PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-23 US disclosed