Maleic Acid

Maleic Acid

SCHEMBL10517643

CC(C)NCc1ccc(-c2csc(N)n2)s1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.61

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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
▸ PIK3CG known ✓ P48736 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.61
▸ MAPT P10636 4/20 0.61
▸ HSD17B10 Q99714 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ NPC1 O15118 3/20 0.43
▸ GFER P55789 1/20 0.43
▸ HDAC8 Q9BY41 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM6B O15054 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
Fumaric Acid SCHEMBL10517651 1.00 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10518017 0.89 ALDH1A1 (0.63) ALDH1A1MAPTHSD17B10MEN1KMT2A
Fumaric Acid SCHEMBL10517648 0.80 KDM4E (0.56) ALDH1A1MAPTHSD17B10MEN1KMT2A
Maleic Acid SCHEMBL10517639 0.80 KDM4E (0.56) ALDH1A1MAPTHSD17B10MEN1KMT2A
Fumaric Acid SCHEMBL10621886 0.78 ALDH1A1 (0.64) ALDH1A1MAPTHSD17B10MEN1KMT2A
Maleic Acid SCHEMBL10621875 0.78 ALDH1A1 (0.64) ALDH1A1MAPTHSD17B10MEN1KMT2A
Fumaric Acid SCHEMBL10520711 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10MEN1KMT2A
Fumaric Acid SCHEMBL10520700 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL9430279 0.76 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10MEN1KMT2A
Fumaric Acid SCHEMBL10519985 0.76 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10MEN1KMT2A

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-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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