SCHEMBL30866611

SCHEMBL30866611

CCCSc1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 2/20 0.52
▸ HCAR1 Q9BXC0 1/20 0.46
▸ PLA2G2A P14555 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ CTRC Q99895 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PLAU P00749 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL29199640 1.00 TPMT (0.52) TPMTHCAR1PLA2G2ATHRBHCAR2
SCHEMBL11941049 0.88 PLA2G2A (0.43) TPMTPLA2G2AAPEX1MAPTCYP1A2
SCHEMBL24896204 0.86 TPMT (0.55) TPMTHCAR1HCAR2TTRCTRC
SCHEMBL15054145 0.80 MAPT (0.53) TPMTPLA2G2ATHRBAPEX1MAPT
SCHEMBL11771729 0.80 TPMT (0.52) TPMTHCAR1HCAR2TTRCTRC
SCHEMBL11941047 0.77 PLA2G2A (0.49) PLA2G2ATHRBTSHR
SCHEMBL11770949 0.77 TPMT (0.61) TPMTHCAR1HCAR2TTRCTRC
SCHEMBL11941048 0.76 PLA2G2A (0.51) PLA2G2ATHRBTSHR
SCHEMBL22926034 0.75 TPMT (0.50) TPMTHCAR1HCAR2TTRCTRC
SCHEMBL15054482 0.75 MAPT (0.62) MAPTCYP3A4

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-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 — — CN disclosed
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