SCHEMBL8908401

SCHEMBL8908401

COc1ccc(CCOc2ccc(C(=O)O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
RARA P10276 5/20 0.48
RARB P10826 4/20 0.48
RARG P13631 4/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
HSPD1 P10809 1/20 0.48
GOT1 P17174 1/20 0.48
GLRA1 P23415 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC11 Q96DB2 2/20 0.40
HDAC2 Q92769 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL9292104 0.84 RARA (0.55) S1PR1RARARARBRARGMEN1
SCHEMBL8442941 0.83 RARA (0.54) S1PR1RARARARBRARGMEN1
SCHEMBL6535745 0.81 RARA (0.47) S1PR1RARARARBRARGMEN1
SCHEMBL5081692 0.79 RARA (0.56) S1PR1RARARARBRARGMEN1
SCHEMBL6570369 0.78 S1PR1 (0.71) S1PR1RARARARBRARGMEN1
SCHEMBL8997645 0.77 RARA (0.64) S1PR1RARARARBRARGMEN1
SCHEMBL7104144 0.76 NPC1 (0.53) MEN1KMT2APOLBSMN1; SMN2PPARD
SCHEMBL9453216 0.76 RARA (0.51) RARARARBRARGMEN1NR1I2
SCHEMBL8907419 0.76 PPARG (0.55) RARARARBRARGPPARG
SCHEMBL8839105 0.74 S1PR1 (0.57) S1PR1RARARARBRARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US claimed
EP-0514264-B1 Biaromatic compounds derived from compounds having a salicylic configuration, their preparation process and their use in human and veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1995-11-15 EP claimed
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 US disclosed