SCHEMBL27601352

SCHEMBL27601352

C=CCC.CCCCCCl

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.63
ALDH1A1 P00352 3/20 0.63
TDP1 Q9NUW8 2/20 0.53
THRB P10828 1/20 0.37
FAAH O00519 2/20 0.33
LMNA P02545 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 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
Butyl Chloride SCHEMBL11100248 0.92
SCHEMBL27606662 0.89 TSHR (0.63) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL27448662 0.86 TSHR (0.60) TSHRALDH1A1TDP1THRBFAAH
Propene SCHEMBL25422704 0.86
Butadiene SCHEMBL28906738 0.86 TSHR (0.67) TSHRALDH1A1TDP1THRBFAAH
Vinyl Chloride SCHEMBL28093461 0.86
Hexane SCHEMBL8891406 0.85 TSHR (0.61) TSHRALDH1A1THRBFAAHLMNA
SCHEMBL27412170 0.84 TSHR (0.70) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL27743808 0.84 TSHR (0.57) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL27672205 0.84 TSHR (0.71) TSHRALDH1A1TDP1FAAH

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
CN-1520407-A Herbicidally substituted pyridines, their preparation and their use as herbicides and plant growth regulators �Ϻ���ͨ��ѧ 2004-08-11 CN disclosed