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SCHEMBL18099433

SCHEMBL18099433

COc1cc2c3c(c4c(c2cc1N1CCCCC1)-c1ccc(-c2ccccc2)cc1C4(C)C)C=CC(c1ccc(OCCO)cc1)(c1ccc(N2CCCCC2)cc1)O3

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ PDPK1 O15530 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ MARK3 P27448 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ MARK2 Q7KZI7 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30

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
SCHEMBL18099435 0.93 USP2 (0.32) ACHE
SCHEMBL18099444 0.92 PTPN1 (0.33) KCNH2HRH3PTPN1
SCHEMBL18099449 0.91 MCHR1 (0.34) KCNH2HRH3
SCHEMBL1046925 0.91 KCNH2 (0.33) KCNH2HRH3
SCHEMBL29453300 0.91 KCNH2 (0.33) KCNH2HRH3
SCHEMBL18091463 0.90 AKT1 (0.33) CHEK1
SCHEMBL1186953 0.90 MEN1 (0.31) —
SCHEMBL18099447 0.90 CHEK1 (0.33) CHEK1PDPK1JAK2EGFRMARK3
SCHEMBL1818315 0.90 KCNH2 (0.33) KCNH2HRH3
SCHEMBL8510586 0.89 MCHR1 (0.33) CHEK1PDPK1JAK2EGFRMARK3

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
US-20160279886-A1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL, INC. 2016-09-29 — — US disclosed