SCHEMBL7218512

SCHEMBL7218512

CCOC(=O)c1cccc(CP(=O)(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
MEP1B Q16820 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA2 P00918 2/20 0.50
ACP3 P15309 1/20 0.49
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL9454035 0.85 CYP4F2 (0.58) CYP4F2CYP4A11MEP1BRAB9ANPC1
SCHEMBL915149 0.84 LOXL2 (0.64) CYP4F2CYP4A11RAB9AMAPTALDH1A1
SCHEMBL129801 0.84 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BRAB9ANPC1
SCHEMBL6147651 0.81 CA1 (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2089661 0.81 CYP4F2 (0.68) CYP4F2CYP4A11MEP1BRAB9ANPC1
SCHEMBL128387 0.81 CYP4F2 (0.72) CYP4F2CYP4A11MEP1BRAB9ANPC1
SCHEMBL110276 0.80 CYP4F2 (0.65) CYP4F2CYP4A11RAB9ANPC1ALDH1A1
SCHEMBL129800 0.80 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BRAB9ANPC1
SCHEMBL2450193 0.80 LOXL2 (0.71) CYP4F2CYP4A11MEP1BRAB9ANPC1
SCHEMBL12035616 0.80 CYP4F2 (0.75) CYP4F2CYP4A11MEP1BRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5556996-A Oxiranyls disubstituted with a phenyl group and a substituted chromanyl or tetrahydroquinolinyl group having retinoid like activity ALLERGAN (US) 1996-09-17 US disclosed
EP-0626940-A1 SUBSTITUTED PHENYLETHENYL COMPOUNDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1994-12-07 EP disclosed
US-5326898-A Substituted phenylethenyl compounds having retinoid-like biological activity ALLERGAN, INC. (US) 1994-07-05 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed
WO-1993016029-A1 SUBSTITUTED PHENYLETHENYL COMPOUNDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed