Butyric Acid

Butyric Acid

SCHEMBL3359947

CCCC(=O)O.O=C1c2ccccc2COc2ccccc21

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
Valeric Acid SCHEMBL9879921 0.92 AKR1B1 (0.56) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL343375 0.85 MAPT (0.63) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
3-Methylbutanoic Acid SCHEMBL3359773 0.82 AKR1B1 (0.57) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL29375440 0.82 MAPT (0.67) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL86392 0.82 MAPT (0.67) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
Ethyl Acetate SCHEMBL3359951 0.80 ALDH1A1 (0.61) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL9218019 0.77 AKR1B1 (0.62) AKR1B1MAPTALDH1A1RAB9A
SCHEMBL11197534 0.76 AKR1B1 (0.60) AKR1B1MAPTALDH1A1RAB9A
SCHEMBL9870088 0.76 MAPT (0.54) AKR1B1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL246421 0.76 ALDH1A1 (0.74) MAPTALDH1A1RAB9ASMN1; SMN2KMT2A

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