SCHEMBL28376353

SCHEMBL28376353

COc1ccc(OCCc2cc[c]cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
APP P05067 4/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CALM1 P0DP23 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL833408 0.95 KCNH2 (0.49) KCNH2APPTAAR1PPARDPPARA
SCHEMBL9864385 0.84 TAAR1 (0.57) TAAR1RAB9AALDH1A1MAPTCALM1
SCHEMBL8748354 0.84 CA12 (0.48) KCNH2APPNPC1RAB9AALDH1A1
SCHEMBL6976874 0.83 MAOB (0.46) APPNPC1RAB9AMAOB
SCHEMBL27496419 0.82 TAAR1 (0.55) TAAR1RAB9AALDH1A1MAPTCALM1
SCHEMBL6570685 0.81 CALM1 (0.58) TAAR1CALM1MAOB
SCHEMBL27730422 0.81 NPC1 (0.67) KCNH2NPC1RAB9AMEN1KMT2A
SCHEMBL6568496 0.81 CALM1 (0.63) TAAR1ALDH1A1CALM1MAOB
SCHEMBL5958007 0.81 NPC1 (0.56) TAAR1NPC1RAB9AALDH1A1MAOB
SCHEMBL28067034 0.81 APP (0.61) APPNPC1RAB9AALDH1A1MEN1

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
CN-110997341-A Thermosensitive recording material and laminate 三菱化学株式会社 2020-04-10 CN disclosed
CN-110997340-A Thermosensitive recording material and laminate 三菱化学株式会社 2020-04-10 CN disclosed