SCHEMBL8458019

SCHEMBL8458019

CCCCCCCOc1cc2ccc(-c3ccccc3C(=O)O)cc2cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.58
RARB P10826 7/20 0.50
RARG P13631 7/20 0.50
RARA P10276 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
HSPD1 P10809 1/20 0.50
GOT1 P17174 1/20 0.50
GLRA1 P23415 1/20 0.50
BLM P54132 1/20 0.50
HSPE1 P61604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CNR2 P34972 3/20 0.46
FAAH O00519 1/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8459703 0.93 RARB (0.52) PTPN11RARBRARGRARAMEN1
SCHEMBL8458370 0.92 RARB (0.51) PTPN11RARBRARGRARAMEN1
SCHEMBL8458427 0.92 RARB (0.51) PTPN11RARBRARGRARAMEN1
SCHEMBL8457301 0.92 RARB (0.51) PTPN11RARBRARGRARAMEN1
SCHEMBL8458236 0.92 RARB (0.51) PTPN11RARBRARGRARAMEN1
SCHEMBL8459002 0.91 RARB (0.48) PTPN11RARBRARGRARAMEN1
SCHEMBL8459773 0.90 RARB (0.48) PTPN11RARBRARGRARAMEN1
SCHEMBL8455742 0.90 PTPN11 (0.46) PTPN11RARBRARGRARAMEN1
SCHEMBL8457977 0.89 RARB (0.47) PTPN11RARBRARGRARAMEN1
SCHEMBL7515780 0.86 RARB (0.51) PTPN11RARBRARGRARAMEN1

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-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US claimed
US-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US disclosed