SCHEMBL7219619

SCHEMBL7219619

CCOC(=O)c1ccccc1CP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 4/20 0.54
LMNA P02545 3/20 0.47
CDC25B P30305 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPK10 P53779 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11004588 0.88 TSHR (0.59) TSHRALDH1A1HSD17B10LMNACDC25B
SCHEMBL8616166 0.84 TSHR (0.59) TSHRALDH1A1HSD17B10LMNACDC25B
SCHEMBL915283 0.83 ALDH1A1 (0.57) TSHRALDH1A1HSD17B10LMNAHTT
SCHEMBL11004592 0.83 TSHR (0.53) TSHRALDH1A1HSD17B10LMNACDC25B
SCHEMBL578128 0.83 TSHR (0.77) TSHRALDH1A1HSD17B10LMNACDC25B
Bromide SCHEMBL2768461 0.80 TSHR (0.57) TSHRALDH1A1HSD17B10LMNACDC25B
SCHEMBL7669334 0.80 TSHR (0.71) TSHRALDH1A1HSD17B10LMNACDC25B
SCHEMBL7670783 0.80 TSHR (0.71) TSHRALDH1A1HSD17B10CDC25BTP53
Diethyl Phthalate SCHEMBL22296 0.78 TSHR (1.00) TSHRALDH1A1HSD17B10LMNACDC25B
Diethyl Phthalate SCHEMBL29404255 0.78 TSHR (1.00) TSHRALDH1A1HSD17B10LMNACDC25B

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 8 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
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP disclosed
WO-1993016029-A1 SUBSTITUTED PHENYLETHENYL COMPOUNDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO disclosed