SCHEMBL22252516

SCHEMBL22252516

Cn1nnc(-c2ccc(O)cc2)c1COC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.47
▸ GABRA5 P31644 2/20 0.39
▸ ABCB11 O95342 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ ABCC3 O15438 2/20 0.33
▸ ABCC4 O15439 2/20 0.33
▸ SLCO1B3 Q9NPD5 2/20 0.33
▸ MIF P14174 2/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT6 Q96LA8 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32

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
SCHEMBL21058017 0.83 GABRA5 (0.40) SLCO1B1GABRA5PDE4DPDE7ALPAR1
SCHEMBL29272615 0.83 SLCO1B1 (0.45) SLCO1B1GABRA5ABCB11CARM1PRMT6
SCHEMBL28435767 0.81 KDM4E (0.39) SLCO1B1ABCB11KDM4EL3MBTL1PDE4D
SCHEMBL22252461 0.79 SLCO1B1 (0.76) SLCO1B1GABRA5ABCB11LPAR1ABCC3
SCHEMBL19715654 0.77 SLCO1B1 (0.69) SLCO1B1GABRA5ABCB11KDM4ELPAR1
SCHEMBL22252713 0.75 SLCO1B1 (0.61) SLCO1B1GABRA5ABCB11LPAR1ABCC3
SCHEMBL22252655 0.75 LPAR1 (0.43) SLCO1B1GABRA5LPAR1ESR1
SCHEMBL22252438 0.73 SLCO1B1 (0.51) SLCO1B1ABCB11
SCHEMBL24043934 0.72 SLCO1B1 (0.42) SLCO1B1GABRA5ABCB11PDE4DPDE7A
SCHEMBL21058053 0.72 LPAR1 (0.40) SLCO1B1GABRA5L3MBTL1LPAR1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654606-B Triazole compound as well as preparation method and application thereof 武汉朗来科技发展有限公司 2023-11-07 — — CN disclosed
EP-3912974-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 — — EP disclosed
WO-2020147740-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE 武汉朗来科技发展有限公司 2020-07-23 — — WO disclosed
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