SCHEMBL28570840

SCHEMBL28570840

C=C(C)C(=O)OCCCC=CCCl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
THRB P10828 1/20 0.49
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 3/20 0.35
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15062349 0.84 TSHR (0.58) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL457007 0.82 TSHR (0.55) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL4398619 0.81 TSHR (0.74) TSHRTHRBTDP1POLBAPEX1
SCHEMBL11121418 0.81 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL4398621 0.81 TSHR (0.74) TSHRTHRBTDP1POLBAPEX1
SCHEMBL11121424 0.81 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL2641114 0.81 THRB (0.55) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL29681899 0.80 TSHR (0.49) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL23754643 0.80 TSHR (0.60) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL7052595 0.79 TSHR (0.51) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112681050-B Color-adjustable micro-cover pavement mixture capable of being constructed in humid environment and preparation method thereof 上海应用技术大学 2022-07-12 CN claimed
CN-112681050-B Color-adjustable micro-cover pavement mixture capable of being constructed in humid environment and preparation method thereof 上海应用技术大学 2022-07-12 CN disclosed
CN-112681050-A Color-adjustable micro-cover pavement mixture capable of being constructed in humid environment and preparation method thereof 上海应用技术大学 2021-04-20 CN disclosed