SCHEMBL8693295

SCHEMBL8693295

CCCOc1cc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)ccc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARG P13631 8/20 0.50
RARA P10276 5/20 0.50
RARB P10826 5/20 0.50
RXRA P19793 5/20 0.46
PLA2G2A P14555 2/20 0.43
CYP3A4 P08684 3/20 0.42
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP26A1 O43174 2/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 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
SCHEMBL8688418 0.93 RARA (0.47) RARGRARARARBRXRAPLA2G2A
SCHEMBL8656079 0.89 RARG (0.58) RARGRARARARBRXRARXRB
SCHEMBL8688231 0.87 RARG (0.55) RARGRARARARBRXRACYP3A4
SCHEMBL8442921 0.81 RARG (0.55) RARGRARARARBRXRA
SCHEMBL8660116 0.81 RARB (0.56) RARGRARARARBRXRACYP3A4
SCHEMBL8690673 0.80 RARG (0.55) RARGRARARARBRXRACYP3A4
SCHEMBL6379832 0.76 RARG (0.64) RARGRARARARBRXRACYP26A1
SCHEMBL8438448 0.76 PTPN11 (0.61) RARGRARARARBRXRA
SCHEMBL28519834 0.75 TDP1 (0.51) PLA2G2A
SCHEMBL17327789 0.74 RARB (0.56) RARGRARARARBRXRACYP3A4

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-5723499-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof C.I.R.D. GALDERMA (FR) 1998-03-03 US disclosed