SCHEMBL20360428

SCHEMBL20360428

CC(=O)C(CC(=O)O)(CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.41
CPT2 P23786 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR3 O14843 3/20 0.37
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ACLY P53396 3/20 0.33
HDAC3 O15379 1/20 0.32

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
SCHEMBL27238959 0.97 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28114677 0.97 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27595372 0.80 GAA (0.43) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL10571434 0.78 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL7770808 0.77 CYP2C19 (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11658386 0.75 ADRA1A (0.42) ADRA1ATSHRALDH1A1CPT2FFAR1
SCHEMBL2446996 0.73 ALDH1A1 (0.53) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL13891324 0.73 ALDH1A1 (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL2178900 0.73 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28324214 0.73 CYP2C19 (0.65) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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
CN-113180293-A Fiber for filter stick 河南中烟工业有限责任公司 2021-07-30 CN disclosed
US-20180194128-A1 ENHANCED MASK FOR REDUCING LIGHT SCATTERING ULANO INTERNATIONAL 2018-07-12 US disclosed