SCHEMBL14590569

SCHEMBL14590569

CC1(C)COC1c1ccc(OCc2cccc(COc3ccc(C4OCC4(C)C)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ TP53 P04637 3/20 0.41
▸ F2 P00734 2/20 0.41
▸ MAOB P27338 8/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HTR2B P41595 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10329404 0.88 OPRM1 (0.43) OPRM1OPRD1TP53MAOB
SCHEMBL13651823 0.81 MAPT (0.39) MAOBPKM
SCHEMBL14590557 0.80 NPC1 (0.38) SMN1; SMN2RAB9A
SCHEMBL13183274 0.79 NQO1 (0.47) MAOB
SCHEMBL13651779 0.77 ALDH1A1 (0.49) MAOB
SCHEMBL4806456 0.77 NPC1 (0.48) MAOBHTR2BSIGMAR1RAB9A
SCHEMBL13651821 0.77 ALDH1A1 (0.36) —
SCHEMBL4809265 0.75 MAPT (0.35) MAOBPKM
SCHEMBL10329392 0.75 ALDH1A1 (0.53) TP53PKMSMN1; SMN2RAB9A
SCHEMBL4810156 0.75 MAPT (0.38) RAB9A

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-7169446-B2 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-30 — — US disclosed
US-7169446-B2 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-30 — — US disclosed
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