SCHEMBL20195623

SCHEMBL20195623

Cc1ccc(C)c(OCc2c(Cl)cccc2C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
BAK1 Q16611 1/20 0.42
CLCN2 P51788 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
TSHR P16473 1/20 0.39
SORT1 Q99523 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
DHODH Q02127 1/20 0.38
BDKRB2 P30411 1/20 0.38
MEN1 O00255 1/20 0.37
AKR1B10 O60218 1/20 0.37
ABCB11 O95342 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL20195479 0.90 KMT2A (0.38) MCL1BAK1TP53ALDH1A1KMT2A
SCHEMBL20195659 0.85 CLCN2 (0.40) MCL1BAK1CLCN2MRGPRX4SORT1
SCHEMBL20195619 0.84 KMT2A (0.41) HTTALDH1A1KMT2APPARGMEN1
SCHEMBL20195628 0.83 TP53 (0.44) TP53HTTMRGPRX4TSHRALDH1A1
SCHEMBL20195622 0.82 GABRA5 (0.46) TP53HTTMRGPRX4TSHRSORT1
SCHEMBL20195405 0.76 NPSR1 (0.34) PPARGBDKRB2CYP3A4CD38
SCHEMBL18831597 0.76 MRGPRX4 (0.50) MCL1TP53HTTMRGPRX4
SCHEMBL16920930 0.75 MRGPRX4 (0.49) MCL1TP53HTTMRGPRX4KMT2A
SCHEMBL20195639 0.74 BDKRB2 (0.42) BDKRB2CYP3A4
SCHEMBL20195657 0.74 P2RX7 (0.36) SORT1DHODHTTRCYP3A4CD38

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