SCHEMBL30354594

SCHEMBL30354594

CCCC(C)CC(=O)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSG P08311 2/20 0.42
CTRB1 P17538 2/20 0.42
TSHR P16473 2/20 0.42
PRSS1 P07477 1/20 0.42
CMA1 P23946 1/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL3388233 0.87 MAPT (0.47) LMNACYP1A2CYP2D6CYP2C19TSHR
SCHEMBL28308325 0.82 TSHR (0.48) LMNATSHRMAPK1HIF1AALDH1A1
SCHEMBL28380754 0.80 ALDH1A1 (0.49) LMNATSHRMAPK1HIF1AALDH1A1
SCHEMBL27541022 0.80 CYP2D6 (0.44) LMNACYP1A2CYP2D6CYP2C19TSHR
SCHEMBL30029663 0.79 L3MBTL1 (0.42) LMNACYP1A2CYP2D6CYP2C19TSHR
SCHEMBL27320354 0.79 TSHR (0.46) LMNACTSGCTRB1TSHRMAPK1
SCHEMBL27508919 0.79 PRSS1 (0.48) LMNACTSGCTRB1TSHRPRSS1
SCHEMBL963849 0.78 TSHR (0.53) LMNATSHRMAPK1HIF1AALDH1A1
SCHEMBL14770230 0.78 MAPT (0.59) LMNACYP2D6TSHRMAPK1HIF1A
SCHEMBL6237740 0.78 ELANE (0.46) LMNAHIF1AALDH1A1SMN1; SMN2ELANE

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-112759672-B Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 CN disclosed