Maleic Acid

Maleic Acid

SCHEMBL28020629

O=C(O)/C=C\C(=O)O.O=C(O)c1ccc(F)cc1

nearest known ligand 0.68

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 known ✓ P21728 1/20 0.46
BCL2L1 Q07817 1/20 0.68
BAD Q92934 1/20 0.68
MITF O75030 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
NR4A2 P43354 1/20 0.50
TNFRSF1A P19438 1/20 0.48
SRD5A2 P31213 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL27498 0.88 BCL2L1 (0.85) BCL2L1BADMITFTP53TSHR
SCHEMBL4570568 0.88 BCL2L1 (0.85) BCL2L1BADMITFTP53TSHR
Terephthalic Acid SCHEMBL8760212 0.88 TSHR (0.71) TP53TSHRCES2CES1CA1
SCHEMBL18670950 0.88 BCL2L1 (0.85) BCL2L1BADMITFTP53TSHR
Terephthalic Acid SCHEMBL942934 0.88 TSHR (0.71) TP53TSHRCES2CES1CA1
Terephthalic Acid SCHEMBL9300604 0.88 TSHR (0.71) TP53TSHRCES2CES1CA1
SCHEMBL17332135 0.85 BCL2L1 (0.81) BCL2L1BADMITFTP53TSHR
Fluoride SCHEMBL10732554 0.85 BCL2L1 (0.81) BCL2L1BADMITFTP53TSHR
SCHEMBL11452380 0.85 BCL2L1 (0.81) BCL2L1BADMITFTP53TSHR
SCHEMBL22734857 0.85 BCL2L1 (0.81) BCL2L1BADMITFTP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745191-A Method for preparing silodosin and intermediate thereof 上海科胜药物研发有限公司 2016-07-06 CN disclosed
CN-104693090-A Silodosin and preparation methods for intermediates thereof SHANGHAI SYNCORES TECHNOLOGIES INC 2015-06-10 CN disclosed