SCHEMBL8394232

SCHEMBL8394232

COc1cc(C(=O)Oc2ccccc2C(=O)O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
RARA P10276 3/20 0.48
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NR1I2 O75469 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
HSPE1 P61604 1/20 0.48
CNR2 P34972 5/20 0.45
FAAH O00519 2/20 0.45
P2RX7 Q99572 1/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8461944 0.89 RARA (0.56) KDM4ERARARARBRARGMEN1
SCHEMBL9246910 0.84 KDM4E (0.54) KDM4ERARARARBRARGMEN1
SCHEMBL8432481 0.84 RARB (0.57) KDM4ERARARARBRARGMEN1
SCHEMBL8397835 0.84 KDM4E (0.43) KDM4ERARARARBRARGMEN1
SCHEMBL9159799 0.84 KDM4E (0.53) KDM4ERARARARBRARGMEN1
SCHEMBL8839130 0.83 RARB (0.48) KDM4ERARARARBRARGMEN1
SCHEMBL8394234 0.83 RARA (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL8394157 0.83 RARA (0.49) KDM4ERARARARBRARGMEN1
SCHEMBL566680 0.82 RARG (0.66) KDM4ERARARARBRARGMEN1
SCHEMBL9134128 0.81 RARA (0.63) KDM4ERARARARBRARGMEN1

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