SCHEMBL9079082

SCHEMBL9079082

C=CCc1ccc(-c2ccc3cc(C(=O)OCc4ccccc4)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.58
RARG P13631 8/20 0.58
RARA P10276 5/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL9079143 0.87 RARB (0.50) RARBRARGRARAKMT2AMEN1
SCHEMBL8767186 0.86 RARB (0.73) RARBRARGRARAKMT2AMEN1
SCHEMBL8766179 0.86 RARG (0.78) RARBRARGRARAKMT2AMEN1
SCHEMBL9078576 0.85 RARB (0.68) RARBRARGRARAKMT2AMEN1
SCHEMBL8767132 0.85 RARB (0.55) RARBRARGRARAKMT2AMEN1
SCHEMBL8766471 0.85 RARB (0.55) RARBRARGRARAKMT2AMEN1
SCHEMBL8765891 0.84 RARB (0.74) RARBRARGRARAKMT2AMEN1
SCHEMBL8765930 0.83 RARB (0.58) RARBRARGRARAKMT2AMEN1
SCHEMBL8766427 0.82 RARG (0.61) RARBRARGRARAKMT2AMEN1
SCHEMBL8766822 0.80 RARB (0.73) RARBRARGRARAKMT2AMEN1

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-5547983-A Aromatic and polycyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-08-20 US disclosed