SCHEMBL30526016

SCHEMBL30526016

CCCCOc1ccc(-c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc(-c3ccc(OCCCC)cc3OCCCC)n2)c(OCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 4/20 0.41
▸ ATP4B P51164 4/20 0.41
▸ GCGR P47871 2/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ LTB4R Q15722 1/20 0.36
▸ PTPN1 P18031 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
SCHEMBL21670525 1.00 ATP4A (0.41) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL21670510 1.00 ATP4A (0.41) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL30526042 1.00 ATP4A (0.41) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL30526022 0.98 HRH3 (0.40) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL30525981 0.98 HRH3 (0.40) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL21670543 0.98 HRH3 (0.40) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL21670511 0.98 HRH3 (0.40) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL21670591 0.97 PTPN11 (0.42) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL21670535 0.97 PTPN11 (0.42) ATP4AATP4BGCGRHRH3CYP2D6
SCHEMBL30526011 0.97 PTPN11 (0.42) ATP4AATP4BGCGRHRH3CYP2D6

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-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 — — CN disclosed
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