SCHEMBL9636925

SCHEMBL9636925

CC(C)=Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
ACHE P22303 3/20 0.41
KIF11 P52732 1/20 0.39
SLC9A1 P19634 1/20 0.39
SLC9A3 P48764 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NFE2L2 Q16236 1/20 0.36
CYP26B1 Q9NR63 2/20 0.35
CYP26A1 O43174 1/20 0.35
HDAC3 O15379 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
SCHEMBL1554030 0.82 SLC9A1 (0.48) SLC9A1SLC9A3SLC9A2ALDH1A1TDP1
SCHEMBL799992 0.82 ALDH1A1 (0.56) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL10427712 0.82 ALDH1A1 (0.56) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL30103346 0.80 AKR1C3 (0.59) HDAC8HDAC4HDAC2ACHESLC9A1
SCHEMBL16952172 0.79 HDAC8 (0.47) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL5433181 0.79 HDAC8 (0.45) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL349422 0.77 HDAC8 (0.44) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL781852 0.77 HDAC8 (0.44) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL30277113 0.75 TDP1 (0.54) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL18302082 0.75 HDAC8 (0.47) HDAC8HDAC4HDAC2ACHEKIF11

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-0294557-B1 PROCESS FOR THE PREPARATION OF 3-PHENYL-2-METHYLPROPANOL AND ITS PARA-SUBSTITUTED ALKYLIC DERIVATIVES HÜLS AKTIENGESELLSCHAFT (DE) 1992-07-08 EP disclosed
EP-0294557-A2 Process for the preparation of 3-phenyl-2-methylpropanol and its para-substituted alkylic derivatives HÜLS AKTIENGESELLSCHAFT (DE) 1988-12-14 EP disclosed