SCHEMBL9520091

SCHEMBL9520091

CC1C(C)(C)c2ccc(C(=O)C3CC3)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
PDK2 Q15119 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM1 Q13255 10/20 0.38

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
SCHEMBL8522911 0.80 CYP2C19 (0.41) RXRA
SCHEMBL4407340 0.80 RXRA (0.48) RXRAPDK2NPC1RAB9A
SCHEMBL10842199 0.75 GAA (0.47) RXRAMEN1KMT2A
SCHEMBL8522801 0.74 RXRA (0.60) RXRA
SCHEMBL10460035 0.74 RXRA (0.34) RXRAPDK2
SCHEMBL8523207 0.73 HNF4A (0.47) RXRANPC1RAB9AMEN1KMT2A
SCHEMBL8523204 0.73 HNF4A (0.47) RXRANPC1RAB9AMEN1KMT2A
SCHEMBL9586891 0.72 KMT2A (0.47) RXRARAB9AKMT2A
SCHEMBL8776390 0.71 RXRA (0.44) RXRAMEN1KMT2AGRM1
SCHEMBL10356133 0.71 CYP26A1 (0.45) RXRANPC1RAB9ACYP2D6

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-0382076-B1 PHENYLHYDRAZONES, THEIR PREPARATION AND MEDICAMENTS AND COSMETICS MANUFACTURED THEREFROM BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
EP-0382076-A1 Phenylhydrazones, their preparation and medicaments and cosmetics manufactured therefrom BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed