SCHEMBL8399153

SCHEMBL8399153

COCCOCOc1cc(C(=O)Cl)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.58
RARA P10276 4/20 0.58
RARG P13631 10/20 0.45
RARB P10826 2/20 0.43
CTNNB1 P35222 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL8394320 0.91 RARA (0.58) IKBKBRARARARGRARBCTNNB1
SCHEMBL8694764 0.91 RARA (0.68) IKBKBRARARARGRARBCTNNB1
SCHEMBL8397886 0.91 RARA (0.66) IKBKBRARARARGRARBMEN1
SCHEMBL7753722 0.87 RARA (0.53) IKBKBRARARARGRARBCTNNB1
SCHEMBL8397839 0.86 IKBKB (0.55) IKBKBRARARARGRARBMEN1
SCHEMBL8431717 0.85 RARA (0.61) IKBKBRARARARGRARBMEN1
SCHEMBL8432432 0.85 RARA (0.61) IKBKBRARARARGRARBCTNNB1
SCHEMBL8397783 0.85 RARA (0.56) IKBKBRARARARGRARBCTNNB1
SCHEMBL8434728 0.84 RARA (0.60) IKBKBRARARARGRARBMEN1
SCHEMBL8394300 0.84 CYP3A4 (0.53) IKBKBRARARARGLMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed