SCHEMBL31021332

SCHEMBL31021332

CCOCC(=O)C1(C(=O)COCC)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ THRB P10828 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDK2 Q15119 6/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL5973962 1.00 ALDH1A1 (0.41) ALDH1A1THRBTDP1TSHRKDM4E
SCHEMBL28515223 0.80 THRB (0.45) ALDH1A1THRBTDP1POLBAPEX1
SCHEMBL18663394 0.75 TSHR (0.46) ALDH1A1THRBTDP1TSHRKDM4E
SCHEMBL2686052 0.75 THRB (0.38) ALDH1A1THRBTDP1APEX1MAPT
SCHEMBL2685891 0.73 THRB (0.37) ALDH1A1THRBTDP1APEX1MAPT
SCHEMBL31598429 0.71 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EMAPTPDK2
SCHEMBL2686958 0.71 APEX1 (0.38) ALDH1A1THRBTDP1APEX1MAPT
SCHEMBL2686340 0.69 MTTP (0.36) APEX1PDK2
SCHEMBL2688290 0.69 SLC25A5 (0.38) ALDH1A1THRBTDP1KDM4EPOLB
SCHEMBL18663381 0.69 ALDH1A1 (0.49) ALDH1A1THRBTDP1TSHRKDM4E

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-113179643-B Catalyst component for olefin polymerization 巴塞尔聚烯烃意大利有限公司 2024-07-05 — — CN disclosed
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