SCHEMBL8394157

SCHEMBL8394157

CC=C(c1ccc(C23CC4CC(CC(C4)C2)C3)c(OC)c1)c1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.49
RARB P10826 5/20 0.49
RARG P13631 5/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 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
TDP1 Q9NUW8 1/20 0.48
CNR2 P34972 3/20 0.42
FAAH O00519 2/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 1/20 0.40
SRD5A2 P31213 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
SCHEMBL8394232 0.83 KDM4E (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL566680 0.82 RARG (0.66) RARARARBRARGMEN1KMT2A
SCHEMBL8839130 0.79 RARB (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8394234 0.78 RARA (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL8398358 0.77 RARA (0.54) RARARARBRARGMEN1KMT2A
SCHEMBL8398374 0.77 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL566878 0.76 CNR2 (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL8461944 0.76 RARA (0.56) RARARARBRARGMEN1KMT2A
SCHEMBL8839134 0.76 RARA (0.47) RARARARBRARGMEN1KMT2A
SCHEMBL8433269 0.75 RARA (0.67) RARARARBRARGMEN1KMT2A

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