SCHEMBL13613992

SCHEMBL13613992

CCC(C)C(=O)OCOCC1(C)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6367124 0.98 HPGD (0.32) KMT2APOLBAPEX1ATMMEN1
SCHEMBL18897887 0.81 HPGD (0.32) KMT2AMEN1ALDH1A1TP53CYP1A2
SCHEMBL13932779 0.75 CYP19A1 (0.31) ALDH1A1
SCHEMBL13613989 0.73 HMGCR (0.31)
SCHEMBL13330729 0.73 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL6367827 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL786100 0.73 ALDH1A1 (0.37) KMT2AALDH1A1CYP3A4ALOX15TSHR
SCHEMBL18253330 0.73 POLB (0.36) KMT2APOLBAPEX1ATM
SCHEMBL6367320 0.72 UGT2B7 (0.33)
SCHEMBL13586931 0.72 ALDH1A1 (0.35) KMT2APOLBAPEX1ATMALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795942-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-7611821-B2 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-03 US disclosed
US-20080153030-A1 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-06-26 US disclosed
US-20080008961-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-01-10 US disclosed