SCHEMBL28796367

SCHEMBL28796367

CC(C)CC(CC(=O)O)(CC(C)C)C(=O)O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
ALDH1A1 P00352 2/20 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
ACLY P53396 3/20 0.34
CPT2 P23786 2/20 0.34
KDM4E B2RXH2 2/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 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
SCHEMBL537136 0.98 CYP2D6 (0.42) TSHRCYP2D6CYP2C19HIF1AGRM2
Succinic Acid SCHEMBL28849007 0.91 CYP2D6 (0.38) TSHRCYP2D6CYP2C19HIF1AGRM2
SCHEMBL16415100 0.87 CYP2D6 (0.38) TSHRCYP2D6CYP2C19HIF1AGRM2
SCHEMBL3667247 0.84 CYP2D6 (0.35) TSHRCYP2D6CYP2C19HIF1AGRM2
SCHEMBL8009657 0.82 CYP2D6 (0.41) TSHRCYP2D6CYP2C19HIF1AGRM2
SCHEMBL10011213 0.81 CYP2D6 (0.33) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL1110756 0.80 AMPD2 (0.36) TSHRCYP2D6CYP2C19HIF1AGRM2
SCHEMBL6230196 0.79 GRM2 (0.37) GRM2GRM3LMNA
SCHEMBL14672450 0.78 TSHR (0.38) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL10011026 0.78 MEN1 (0.34) TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115042482-B Leather and polycarbonate sheet composite forming process method 辛集市北美赛皮革有限公司 2022-11-15 CN claimed
CN-115042482-A Leather and polycarbonate sheet composite forming process method 辛集市北美赛皮革有限公司 2022-09-13 CN claimed
CN-118020785-A Sterilization composition containing mancozeb and application thereof 允发生物科技(上海)有限公司 2024-05-14 CN disclosed
CN-115042482-B Leather and polycarbonate sheet composite forming process method 辛集市北美赛皮革有限公司 2022-11-15 CN disclosed
CN-115042482-A Leather and polycarbonate sheet composite forming process method 辛集市北美赛皮革有限公司 2022-09-13 CN disclosed
CN-113583546-B Production process of epichlorohydrin blended rubber-plastic emulsion anticorrosive paint 安徽新大陆特种涂料有限责任公司 2022-07-26 CN disclosed