SCHEMBL8934056

SCHEMBL8934056

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL9027487 0.78 ALDH1A1 (0.35) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL506135 0.78 TSHR (0.43) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL8934055 0.77
SCHEMBL16863804 0.73 ACLY (0.40) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL9297602 0.72 TSHR (0.65) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL30689470 0.70 GGT1 (0.43) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL30689469 0.70 GGT1 (0.43) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL30689471 0.70 GGT1 (0.43) TSHRALDH1A1FFAR1CPT2TDP1
Pivalate SCHEMBL23754639 0.69 TSHR (0.42) TSHRALDH1A1FFAR1CPT2TDP1
Pivalate SCHEMBL5445290 0.69 TSHR (0.42) TSHRALDH1A1FFAR1CPT2TDP1

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
WO-1996025241-A1 SCREEN PRINTABLE DECORATIVE COATING COMPOSITION FERRO CORPORATION (US) 1996-08-22 WO disclosed