SCHEMBL8460899

SCHEMBL8460899

COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.64
WDR5 P61964 1/20 0.62
NR1H4 Q96RI1 4/20 0.61
RARA P10276 2/20 0.60
RARB P10826 2/20 0.60
RARG P13631 2/20 0.60
POLB P06746 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL9486281 0.89 SMN1; SMN2 (0.64) PKMNR1H4MEN1KMT2ATP53
SCHEMBL7081728 0.85 TP53 (0.60) PKMWDR5NR1H4POLBMEN1
SCHEMBL11162884 0.84 PKM (0.82) PKMNR1H4POLBMEN1KMT2A
SCHEMBL31325762 0.84 RARA (0.73) PKMWDR5NR1H4RARARARB
SCHEMBL1421835 0.84 RARA (0.73) PKMWDR5NR1H4RARARARB
Hydrochloric Acid SCHEMBL9131236 0.82 RARA (0.71) PKMWDR5NR1H4RARARARB
SCHEMBL2910556 0.81 PKM (0.53) PKMWDR5NR1H4POLBMEN1
SCHEMBL29462718 0.81 PKM (0.53) PKMWDR5NR1H4POLBMEN1
SCHEMBL8460896 0.81 ALDH1A1 (0.53) PKMWDR5NR1H4POLBMEN1
SCHEMBL9453203 0.81 NR1H4 (0.82) WDR5NR1H4RARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP claimed
EP-0232199-A2 Aromatic benzamido compounds, process for their preparation and their use in human or veterinary medicine as well as in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-08-12 EP claimed
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
EP-0514269-B1 Imino-derivatives, process for their preparation and their use in human and veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1995-11-02 EP disclosed
US-5212203-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOGOLOGIQUES (C.I.R.D.) (FR) 1993-05-18 US disclosed
EP-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP disclosed
EP-0514269-A1 Imino-derivatives, process for their preparation and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1992-11-19 EP disclosed
US-4927928-A SKIN DISORDERS, EYES, ANTITUMOR CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-05-22 US disclosed
EP-0232199-A2 Aromatic benzamido compounds, process for their preparation and their use in human or veterinary medicine as well as in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-08-12 EP disclosed