SCHEMBL21535205

SCHEMBL21535205

c1coc(-c2cc3cc4occc4cc3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPRS Q13332 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ TDP1 Q9NUW8 3/20 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
SCHEMBL24309031 0.79 SIRT1 (0.51) KDM4EHSD17B10MAOAALDH1A1NPC1
SCHEMBL20324667 0.77 KDM4E (0.46) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL30018913 0.76 SMN1; SMN2 (0.55) KDM4EHSD17B10NFKB1ALDH1A1NPC1
SCHEMBL2149910 0.73 CYP2A6 (0.54) KDM4EHSD17B10CYP3A4CYP2D6CYP2A6
SCHEMBL12278550 0.71 PTPN1 (0.59) KDM4EHSD17B10CYP3A4CYP2D6CYP2A6
SCHEMBL16617309 0.70 PGR (0.63) CYP2A6PGRADORA2A
SCHEMBL19270280 0.70 KDM4E (0.36) KDM4EHSD17B10CYP3A4CYP2D6CYP2A6
SCHEMBL2149640 0.70 MAOB (0.57) KDM4EHSD17B10CYP2D6CYP2A6MAOA
SCHEMBL17051493 0.69 CYP3A4 (0.48) KDM4EHSD17B10CYP3A4CYP2D6CYP2A6
SCHEMBL4426245 0.69 CYP2A6 (0.48) KDM4EHSD17B10CYP3A4CYP2D6CYP2A6

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
US-11289654-B2 Polymers containing furanyl crosslinkable groups and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-03-29 — — US disclosed
EP-3560917-A1 POLYMER CONTAINING FURAN CROSSLINKING GROUP AND USE THEREOF Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2019-10-30 — — EP disclosed
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