SCHEMBL29286648

SCHEMBL29286648

CCS(=O)(=O)c1c(Cl)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
CXCR2 P25025 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MT-CO2 P00403 1/20 0.43
TTR P02766 1/20 0.43
PLA2G1B P04054 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3642592 0.87 ALOX15 (0.58) TSHRALDH1A1ALOX15HPGDSMN1; SMN2
SCHEMBL8491404 0.82 TSHR (0.55) TSHRALDH1A1ALOX15KMT2APOLB
SCHEMBL13911244 0.81 CXCR2 (0.49) TSHRALDH1A1CXCR2KMT2APOLB
SCHEMBL3530832 0.80 TSHR (0.57) TSHRALDH1A1ALOX15KMT2APOLB
SCHEMBL28175221 0.79 ALOX15 (0.50) TSHRALDH1A1ALOX15HPGDSMN1; SMN2
SCHEMBL27745300 0.74 CXCR2 (0.44) TSHRALDH1A1ALOX15CXCR2KMT2A
SCHEMBL9657607 0.73 ALDH1A1 (0.43) TSHRALDH1A1ALOX15CXCR2KMT2A
SCHEMBL27993341 0.73 ALDH1A1 (0.45) TSHRALDH1A1ALOX15CXCR2KMT2A
SCHEMBL9317962 0.73 TSHR (0.57) TSHRALDH1A1ALOX15KMT2ALMNA
SCHEMBL11373594 0.71 ALOX15 (0.57) TSHRALDH1A1ALOX15LMNAMAPT

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-109071493-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2018-12-21 CN disclosed