Maleic Acid

Maleic Acid

SCHEMBL7077075

COc1ccc(N(CCCc2cncn2Cc2ccc(C#N)cc2)C(=S)NCc2ccccc2C(F)(F)F)cn1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.42

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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 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
FNTA P49354 11/20 0.38
FNTB P49356 11/20 0.38
PGGT1B P53609 9/20 0.38
KCNH2 Q12809 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
Oxalic Acid SCHEMBL7080520 0.96 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
Cadaverine Tartrate SCHEMBL7077575 0.93 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
Citric Acid SCHEMBL7084194 0.92 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
Fumaric Acid SCHEMBL7077085 0.86 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077641 0.86 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086539 0.85 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077080 0.85 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7080524 0.84 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077584 0.81 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
Oxalic Acid SCHEMBL7080525 0.81 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed