Isophthalic Acid

Isophthalic Acid

SCHEMBL27265495

CN1CCCC1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
GAA P10253 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2D6 P10635 2/20 0.54
HIF1A Q16665 1/20 0.54
IL1RN P18510 1/20 0.54
POLB P06746 2/20 0.54
L3MBTL3 Q96JM7 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4260025 0.82 HPGD (0.60) ALDH1A1HPGDKDM4EMEN1GAA
Isophthalic Acid SCHEMBL28737082 0.81 KMO (0.58) ALDH1A1HPGDHSD17B10KDM4EMEN1
Isophthalic Acid SCHEMBL27899309 0.81 HPGD (0.61) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL4696934 0.79 L3MBTL3 (0.72) ALDH1A1HPGDHSD17B10KDM4EMEN1
Isophthalic Acid SCHEMBL27962393 0.79 KMO (0.60) ALDH1A1HPGDHSD17B10KDM4EMEN1
Isophthalic Acid SCHEMBL6857089 0.79 KMO (0.60) ALDH1A1HPGDHSD17B10KDM4EMEN1
Isophthalic Acid SCHEMBL259039 0.79 KMO (0.60) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL3319386 0.79 ALDH1A1 (0.73) ALDH1A1HPGDHSD17B10KDM4EMEN1
Isophthalic Acid SCHEMBL30529662 0.79 CA12 (0.65) ALDH1A1HPGDHSD17B10KDM4EMEN1
Isophthalic Acid SCHEMBL28075948 0.79 CYP2D6 (0.56) ALDH1A1HPGDHSD17B10KDM4EMEN1

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
CN-1021652-C Process for the preparation of substituted N- (1-alkyl-3-hydroxy-4-piperidinyl) benzamides JANSSEN PHARMACEUTIEA N V (BE) 1993-07-21 CN disclosed
CN-1067889-A The preparation method of N-(the 1-alkyl-3-hydroxy-4-piperidinyl base) benzamide that replaces JANSSEN PHARMACEUTICA NV (BE) 1993-01-13 CN disclosed
CN-1032438-A Novel substituted N- (1-alkyl-3-hydroxy-4-piperidinyl) benzamides JANSSEN PHARMACEUTICA NV (BE) 1989-04-19 CN disclosed