SCHEMBL28077634

SCHEMBL28077634

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
ACHE P22303 7/20 0.41
TDP1 Q9NUW8 2/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
FFAR1 O14842 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CPT2 P23786 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CAMK2A Q9UQM7 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
SCHEMBL22117431 0.92 HMGCR (0.41) CYP4F2CYP4A11ACHETDP1HMGCR
SCHEMBL8882671 0.84 NAAA (0.48) ACHETSHR
SCHEMBL17848879 0.83 ALDH1A1 (0.47) ACHETDP1TSHR
SCHEMBL11808409 0.81 CYP4F2 (0.55) CYP4F2CYP4A11ACHETDP1TSHR
SCHEMBL10044204 0.81 CYP4F2 (0.55) CYP4F2CYP4A11ACHETDP1TSHR
SCHEMBL12082723 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ACHETDP1HMGCR
SCHEMBL18657105 0.80 CYP4F2 (0.39) CYP4F2CYP4A11ACHETDP1HMGCR
SCHEMBL12794922 0.79 CYP4F2 (0.58) CYP4F2CYP4A11ACHETDP1TSHR
SCHEMBL14420951 0.79 CYP4F2 (0.58) CYP4F2CYP4A11ACHETDP1TSHR
SCHEMBL1142630 0.78 CYP4F2 (0.50) CYP4F2CYP4A11ACHETDP1

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
CN-104356374-B A kind of aliphatic-PLA segmented copolymer 中国科学院长春应用化学研究所 2016-08-24 CN disclosed