SCHEMBL10893152

SCHEMBL10893152

CC(C)(C)C(O)CCCCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 2/20 0.45
LMNA P02545 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 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
SCHEMBL1282522 0.98 KCNA3 (0.55) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL17201876 0.81 KCNA3 (0.59) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL1282836 0.80 MMP1 (0.52) MMP1MMP3LMNA
SCHEMBL7804282 0.79 KCNA3 (0.61) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6247219 0.79 KCNA3 (0.61) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9635979 0.78 L3MBTL1 (0.54) TDP1ALDH1A1RECQLCYP2D6
SCHEMBL8311664 0.77 KCNA3 (0.59) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL11276637 0.77 LMNA (0.62) LMNACYP2D6
SCHEMBL11068531 0.77 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL12746095 0.77 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4

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-0150404-B1 ALPHA-HALOGEN-PHENOXYALKYLKETONES, PHENOXYALKYLKETONES, PROCESSES FOR THEIR PRODUCTION, AND THEIR USE AS INTERMEDIATES FOR THE PRODUCTION OF FUNGICIDES BASF Aktiengesellschaft (DE) 1986-11-26 EP disclosed
EP-0150404-A1 Alpha-halogen-phenoxyalkylketones, phenoxyalkylketones, processes for their production, and their use as intermediates for the production of fungicides BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed