SCHEMBL11846340

SCHEMBL11846340

CCC(C)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALPL P05186 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HDAC1 Q13547 3/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HDAC3 O15379 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NR1H4 Q96RI1 2/20 0.44

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
SCHEMBL24221611 0.86 LMNA (0.48) HTTGAAHDAC1RAB9AMAPT
SCHEMBL10756391 0.81 ALDH1A1 (0.50) HTTL3MBTL1ALPLGAAHDAC1
SCHEMBL12955855 0.80 KDM4E (0.48) HTTGAAHDAC1RAB9AMAPT
SCHEMBL3232491 0.80 HDAC1 (0.55) HTTGAAHDAC1RAB9ANPC1
SCHEMBL11851363 0.80 HDAC1 (0.47) HTTL3MBTL1ALPLGAAHDAC1
SCHEMBL10046303 0.79 LMNA (0.38) HTTL3MBTL1ALPLGAAHDAC1
SCHEMBL21729395 0.79 KMT2A (0.48) L3MBTL1GAAHDAC1RAB9AMAPT
SCHEMBL9177783 0.79 CHRM2 (0.56) HTTGAAHDAC1RAB9ANPC1
SCHEMBL23571731 0.79 HDAC1 (0.53) HTTHDAC1RAB9ANPC1MAPT
SCHEMBL14140845 0.79 MMP2 (0.46) HTTGAAHDAC1RAB9ANPC1

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
US-3968168-A P-tert-butyl-diphenylalkane insecticides MOBIL OIL CORPORATION (US) 1976-07-06 — — US disclosed
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