SCHEMBL17243716

SCHEMBL17243716

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 1/20 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
SCHEMBL9249667 0.92 ALDH1A1 (0.48) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2829360 0.86 ALDH1A1 (0.60) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2957592 0.85 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL5145947 0.81 ALDH1A1 (0.60) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL13712336 0.80 ALDH1A1 (0.44) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL17301671 0.78 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL5883550 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2829358 0.75 DGAT1 (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL10295968 0.75 DGAT1 (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL11986244 0.74 ALDH1A1 (0.75) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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-9180111-B2 Reduction in complement activation and inflammation during tissue injury by carotenoids, carotenoid analogs, or derivatives thereof CARDAX PHARMA, INC. (US) 2015-11-10 US disclosed