SCHEMBL2878491

SCHEMBL2878491

CC1(C)Oc2cc3c(cc2[C@H](OC(=O)NCCc2ccccc2)[C@H]1O)OCC(=O)N3

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 4/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.41
PARP1 P09874 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
PKM P14618 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL2009194 0.83 TP53 (0.47) TP53TAAR1LMNAPOLBMEN1
SCHEMBL2869709 0.83 TP53 (0.47) TP53TAAR1LMNAPOLBMEN1
SCHEMBL2878493 0.81 TP53 (0.42) TP53TAAR1LMNAPARP1
SCHEMBL2010054 0.79 TP53 (0.47) TP53TAAR1LMNAPOLBMEN1
SCHEMBL2013291 0.79 TP53 (0.47) TP53TAAR1LMNAPOLBMEN1
SCHEMBL2875466 0.79 MMP12 (0.38) POLBMEN1KMT2APARP1MAPT
SCHEMBL2883788 0.78 KCNA5 (0.43) TAAR1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL2889515 0.77 KCNA5 (0.43) TAAR1LMNAPOLBMEN1KMT2A
SCHEMBL3601136 0.77 TP53 (0.43) TP53TAAR1LMNAPOLBMEN1
SCHEMBL2877931 0.76 NPC1 (0.41) TAAR1LMNAPOLBTHRBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed