SCHEMBL31087627

SCHEMBL31087627

COc1ccc(C#Cc2ccc3c4c(cccc24)C(=O)OC3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ APP P05067 2/20 0.40
▸ BCL2 P10415 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36

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
SCHEMBL15843910 0.83 TYMS (0.50) TYMSMEN1KMT2APOLBAPP
SCHEMBL17172502 0.77 TYMS (0.53) TYMSMEN1KMT2APOLBATM
SCHEMBL3798634 0.76 APP (0.55) MEN1KMT2APOLBKCNH2L3MBTL1
SCHEMBL11947508 0.76 TYMS (0.37) TYMSMEN1KMT2APOLBKCNH2
SCHEMBL30861779 0.76 APP (0.47) KCNH2L3MBTL1APPADORA3
SCHEMBL29246853 0.76 APP (0.47) KCNH2L3MBTL1APPADORA3
SCHEMBL17195063 0.76 KCNH2 (0.40) MEN1KMT2APOLBKCNH2L3MBTL1
SCHEMBL14918648 0.71 TYMS (0.47) TYMSMEN1KMT2APOLBATM
SCHEMBL704830 0.71 CHAT (0.58) KMT2AKCNH2L3MBTL1PDE4DAPP
SCHEMBL30761754 0.70 KMT2A (0.76) TYMSMEN1KMT2APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546669-A Preparation method and application of fluorescent optical fiber sensor suitable for monitoring strong alkaline pH 中国科学院海洋研究所 2024-08-27 — — CN claimed
CN-118546669-A Preparation method and application of fluorescent optical fiber sensor suitable for monitoring strong alkaline pH 中国科学院海洋研究所 2024-08-27 — — CN disclosed
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