SCHEMBL7783996

SCHEMBL7783996

CCC(C)(C)c1ccc2c(c1)C(C)C(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 4/20 0.36
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL7783242 0.84 ALDH1A1 (0.48) NPC1RAB9ALMNACASP3SENP8
SCHEMBL7785798 0.74 BRD4 (0.40) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17454872 0.74 ALDH1A1 (0.38) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7783608 0.72 CNR1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1CNR2
SCHEMBL7785526 0.72 GAA (0.58) ALDH1A1HPGDGAAKMT2A
SCHEMBL7785586 0.71 ALDH1A1 (0.39) NPC1RAB9ALMNACASP3SENP8
SCHEMBL17797155 0.70 ALDH1A1 (0.47) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL13620546 0.70 PGR (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7783609 0.70 HDAC4 (0.39) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL31560154 0.70 PKM (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA

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
EP-0707575-B1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH & CIE (CH) 2001-10-24 EP disclosed