SCHEMBL8394243

SCHEMBL8394243

C=CCOC(=O)c1ccc(NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)c(SOCOCCOC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.40
RARA P10276 2/20 0.40
HIF1A Q16665 3/20 0.38
EPHX2 P34913 2/20 0.36
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C9 P11712 1/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8433948 0.88 MAPT (0.36) HIF1AEPHX2MAPK1HPGDRECQL
SCHEMBL8437028 0.88 RARA (0.49) IKBKBRARAEPHX2MAPK1CYP2C9
SCHEMBL8394253 0.86 IKBKB (0.49) IKBKBRARAHIF1AEPHX2MAPK1
SCHEMBL8693106 0.85 IKBKB (0.57) IKBKBRARAHIF1AEPHX2MAPK1
SCHEMBL8694721 0.79 RARA (0.54) IKBKBRARAHIF1AEPHX2MAPT
SCHEMBL8457513 0.79 RARA (0.49) IKBKBRARAHIF1AEPHX2MAPK1
SCHEMBL8398267 0.76 IKBKB (0.49) IKBKBRARAHIF1AEPAS1
SCHEMBL8437023 0.75 RARA (0.41) IKBKBRARAEPHX2MAPK1RECQL
SCHEMBL8693724 0.74 RARA (0.57) IKBKBRARAHIF1AEPAS1
SCHEMBL8436433 0.73 RARA (0.34) IKBKBRARAEPHX2

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-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP claimed
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US claimed
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed