SCHEMBL21048439

SCHEMBL21048439

CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O.[AlH3]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
GAA P10253 1/20 0.37
CPT2 P23786 2/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACLY P53396 3/20 0.31

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
SCHEMBL284431 0.98 CYP2C19 (0.42) CYP2C19HIF1ACYP2D6TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL8604348 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL28960526 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
Acetic Acid SCHEMBL15573268 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL597227 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
Acetone SCHEMBL9653544 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL27493653 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL156918 0.95 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRALDH1A1
Hydrochloric Acid SCHEMBL9407370 0.93 CYP2C19 (0.39) CYP2C19HIF1ACYP2D6TSHRALDH1A1
Water SCHEMBL7198408 0.93 CYP2C19 (0.39) CYP2C19HIF1ACYP2D6TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10315749-B1 Material for propeller occlusion of marine vessels LEIDOS, INC. (US) 2019-06-11 US disclosed