SCHEMBL7159107

SCHEMBL7159107

CC(=O)C(C)(C)c1ccccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
APOBEC3G Q9HC16 1/20 0.38
BAZ2B Q9UIF8 2/20 0.37
BAZ2A Q9UIF9 2/20 0.37
BRD4 O60885 2/20 0.37
BRD9 Q9H8M2 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL14802325 0.77 ALDH1A1 (0.48) GAAGABRA1GABRB2MAPTKMT2A
SCHEMBL29747171 0.76 ALDH1A1 (0.52) CYP4F2CYP4A11APOBEC3GPDCD1CD274
SCHEMBL358963 0.76 ALDH1A1 (0.52) CYP4F2CYP4A11APOBEC3GPDCD1CD274
SCHEMBL18754039 0.75 GABRA1 (0.42) HPGDGAAGABRA1GABRB2MAPT
Acetic Acid SCHEMBL7640539 0.74 PDCD1 (0.39) CYP4F2CYP4A11APOBEC3GBAZ2BBAZ2A
Carbamic Acid SCHEMBL31333088 0.74 MAPT (0.42) CYP4F2CYP4A11PDCD1CD274HPGD
SCHEMBL19733625 0.73 MAPT (0.41) BRD4LMNAGAAL3MBTL1MAPT
SCHEMBL12841736 0.73 KCNN4 (0.46) GAAMAPTKMT2AALDH1A1
SCHEMBL15834065 0.73 PDK2 (0.40) BRD4LMNAGAAL3MBTL1MAPT
SCHEMBL10218791 0.72 GABRA1 (0.45) GABRA1GABRB2MAPTKMT2AALDH1A1

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-1066233-B1 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORP (US) 2003-07-30 EP claimed