Lactic Acid

Lactic Acid

SCHEMBL9856782

CC(O)C(=O)O.CNCCC(Cc1ccccc1Br)c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1

The experimentally established mechanism targets of Lactic 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
HTR2A known ✓ P28223 2/20 0.42
HRH1 known ✓ P35367 2/20 0.42
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HPGD P15428 1/20 0.42
SLC6A4 P31645 4/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ANPEP P15144 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
Sulfuric Acid SCHEMBL9856915 0.78 HTR2A (0.45) TP53CYP1A2CYP2D6ALOX15TSHR
Sulfuric Acid SCHEMBL9856918 0.78 HTR2A (0.45) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9857236 0.77 HTR2A (0.53) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9857056 0.76 HTR2A (0.51) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9856916 0.74 HTR2A (0.54) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9856790 0.74 HPGD (0.39) CYP1A2CYP2D6ALOX15TSHRCYP2C19
SCHEMBL14526719 0.74 HTR2A (0.53) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL8263713 0.74 HTR2A (0.53) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9856722 0.73 HTR2A (0.51) TP53CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9856889 0.73 TAAR1 (0.53) TP53CYP1A2CYP2D6ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed