SCHEMBL7785586

SCHEMBL7785586

CC1C(=O)Oc2cc(C(C)(C)C)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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 0.86 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6251806 0.77 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL18952097 0.77 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL9283252 0.75 MEN1 (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL27658219 0.73 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7778988 0.72 PTPN1 (0.38) ALDH1A1HPGDALOX15TDP1L3MBTL1
SCHEMBL7783606 0.72 BRD4 (0.43) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL10945528 0.72 MAPT (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7783619 0.72 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9ACASP3
SCHEMBL7778978 0.71 PGR (0.39) ALDH1A1HDAC4HDAC2HDAC8

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