SCHEMBL20195622

SCHEMBL20195622

Cc1cccc(OCc2c(Cl)cccc2C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
SORT1 Q99523 2/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL20195624 0.90 GABRA5 (0.43) GABRA5NPC1RAB9AKMT2AALDH1A1
SCHEMBL20195590 0.82 GABRA5 (0.44) GABRA5TP53HTTTSHRMRGPRX4
SCHEMBL20195623 0.82 MCL1 (0.42) SORT1TP53HTTTSHRMRGPRX4
SCHEMBL20195599 0.80 GABRA5 (0.43) GABRA5NR1H4
SCHEMBL20195519 0.75 LMNA (0.46) GABRA5HTTNPC1KMT2AALDH1A1
SCHEMBL18504615 0.75 NR1H4 (0.43) TP53HTTTSHRMRGPRX4ALDH1A1
SCHEMBL16920930 0.75 MRGPRX4 (0.49) TP53HTTMRGPRX4NPC1RAB9A
SCHEMBL22564462 0.74 NR1H4 (0.42) TP53HTTTSHRMRGPRX4ALDH1A1
SCHEMBL20195626 0.74 GABRA5 (0.42) GABRA5NPC1RAB9AKMT2AMEN1
SCHEMBL20195403 0.74 GABRA5 (0.43) GABRA5NPC1RAB9AKMT2ACYP11B1

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed