SCHEMBL11014128

SCHEMBL11014128

CC(C)CC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
RECQL P46063 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HSP90AA1 P07900 1/20 0.51
THRB P10828 1/20 0.51
HDAC1 Q13547 1/20 0.50
SRD5A2 P31213 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MPI P34949 1/20 0.47

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
SCHEMBL11204474 0.84 ALDH1A1 (0.56) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL18860300 0.83 PTPN1 (0.59) MAPTALDH1A1HDAC1SRD5A2L3MBTL1
SCHEMBL450084 0.79 RAB9A (0.85) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL17148448 0.79 KMT2A (0.52) MAPTRAB9AALDH1A1LMNAMAPK1
SCHEMBL7079689 0.79 RAB9A (0.66) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL8536624 0.79 ALDH1A1 (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL14739209 0.79 ALDH1A1 (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL4876093 0.79 MLYCD (0.61) LMNAMAPK1NPSR1HTTGAA
SCHEMBL11900206 0.78 TDP1 (0.53) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL507140 0.78 GSK3B (0.57) MAPTNPC1RAB9AALDH1A1LMNA

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-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP disclosed