3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL3359773

CC(C)CC(=O)O.O=C1c2ccccc2COc2ccccc21

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.57
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
Acetic Acid SCHEMBL343375 0.84 MAPT (0.63) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
Butyric Acid SCHEMBL3359947 0.82 AKR1B1 (0.59) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL29375440 0.81 MAPT (0.67) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL86392 0.81 MAPT (0.67) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
Valeric Acid SCHEMBL9879921 0.80 AKR1B1 (0.56) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL245082 0.77 ALDH1A1 (0.72) MAPTALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL28540208 0.76 MAOA (0.54) AKR1B1MAPTALDH1A1SMN1; SMN2KDM4E
Ethyl Acetate SCHEMBL3359951 0.76 ALDH1A1 (0.61) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL9870088 0.75 MAPT (0.54) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL10922819 0.75 AKR1B1 (0.79) AKR1B1

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-2666770-A1 Process for obtaining olopatadine and intermediates Crystal Pharma S.A.U (ES) 2013-11-27 EP disclosed
EP-2145882-B1 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA SAU (ES) 2013-08-21 EP disclosed
EP-2145882-A1 Process for obtaining olopatadine and intermediates Ragactives, S.L.U. (ES) 2010-01-20 EP disclosed