SCHEMBL9510316

SCHEMBL9510316

CC1(C)CC(C)(C)c2cc(COc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRB P28702 10/20 0.60
RXRA P19793 9/20 0.59
RXRG P48443 4/20 0.59
CYP26A1 O43174 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP26B1 Q9NR63 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NR4A2 P43354 5/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54

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
SCHEMBL8676840 0.92 RXRB (0.71) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL8674842 0.84 RXRA (0.68) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL9510301 0.83 PPARG (0.41) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL6147923 0.79 RXRA (0.67) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL8776544 0.77 RARB (0.65) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL8839242 0.77 RXRA (0.69) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL8134318 0.77 NR4A2 (0.85) RXRBRXRARXRGNPC1RAB9A
SCHEMBL8674523 0.77 RARA (0.56) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL8874670 0.77 RXRA (0.64) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL9275250 0.76 RXRB (0.53) RXRBRXRARXRGCYP26A1CYP3A4

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
EP-0555265-A1 BICYCLO-COMPOUNDS WITH AN ANTI-SEBORRHOEIC ACTION Henkel Kommanditgesellschaft auf Aktien (DE) 1993-08-18 EP disclosed
WO-1992006946-A1 BICYCLO-COMPOUNDS WITH AN ANTI-SEBORRHOEIC ACTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-04-30 WO disclosed