SCHEMBL20960207

SCHEMBL20960207

CC1=Cc2c(oc3c(C)cccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.39
▸ CYP2A6 P11509 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ ELANE P08246 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
SCHEMBL23439843 0.77 KDM4E (0.35) ALDH1A1MAOAMAOB
SCHEMBL21913052 0.74 ALOX5 (0.34) ALDH1A1
SCHEMBL13509570 0.73 MAPK1 (0.46) MCL1CYP2A6CYP1A2PRKDCALDH1A1
SCHEMBL21912961 0.71 — —
SCHEMBL22212952 0.71 MCL1 (0.36) MCL1CYP2A6CYP1A2PRKDC
SCHEMBL1611920 0.70 CYP2A6 (0.55) MCL1CYP2A6CYP1A2PRKDCALDH1A1
SCHEMBL23254101 0.67 — —
SCHEMBL12811472 0.66 CYP1A2 (0.50) MCL1CYP2A6CYP1A2PRKDCALDH1A1
SCHEMBL13563990 0.66 CYP1A2 (0.50) MCL1CYP2A6CYP1A2PRKDCALDH1A1
SCHEMBL16177041 0.64 MAOB (0.45) MCL1CYP2A6CYP1A2PRKDCALDH1A1

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
EP-3770166-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-10-06 — — EP disclosed
EP-2980878-B1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHTING DEVICE AND DISPLAY DEVICE WHICH ARE PROVIDED WITH SAME KONICA MINOLTA INC (JP) 2019-05-01 — — EP disclosed
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