SCHEMBL7024481

SCHEMBL7024481

COc1ccc(-c2ccc(C(=O)O)s2)cc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.58
RARB P10826 2/20 0.58
RARG P13631 2/20 0.58
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
ERN1 O75460 2/20 0.54
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.49
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
HSD17B2 P37059 4/20 0.45
HSD17B1 P14061 3/20 0.45
WDR5 P61964 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
NPC1 O15118 2/20 0.43
GLA P06280 2/20 0.43

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
SCHEMBL6879575 0.90 RARA (0.50) RARARARBRARGALDH1A1HPGD
SCHEMBL6876549 0.87 RARA (0.50) RARARARBRARGALDH1A1HPGD
SCHEMBL6876543 0.79 MAPK1 (0.50) RARARARBRARGALDH1A1HPGD
SCHEMBL6876542 0.79 MAPK1 (0.50) RARARARBRARGALDH1A1HPGD
SCHEMBL6877068 0.79 RARA (0.48) RARARARBRARGALDH1A1HPGD
SCHEMBL6870481 0.78 RARA (0.46) RARARARBRARGALDH1A1HPGD
SCHEMBL7024749 0.78 RARB (0.62) RARARARBRARGALDH1A1RAB9A
SCHEMBL4601799 0.78 ERN1 (0.65) ALDH1A1HPGDERN1POLBRAB9A
SCHEMBL6874825 0.77 RARA (0.45) RARARARBRARGALDH1A1ERN1
SCHEMBL10352726 0.76 RARA (0.61) RARARARBRARGALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed