SCHEMBL7782083

SCHEMBL7782083

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C(=O)O)cc4ccccc4c3O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
CDC25B P30305 2/20 0.43
GPR84 Q9NQS5 2/20 0.42
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 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
SCHEMBL1845591 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL29565491 0.89 SLC16A3 (0.41) KDM4EALDH1A1HPGDCDC25BHSD17B10
SCHEMBL23800896 0.89 SLC16A3 (0.41) KDM4EALDH1A1HPGDCDC25BHSD17B10
SCHEMBL26290020 0.89 GPR35 (0.40) KDM4EALDH1A1HPGDCDC25BHSD17B10
SCHEMBL26289884 0.85 IDO1 (0.38) KDM4EALDH1A1HPGDCDC25BHSD17B10
SCHEMBL7941259 0.85 SLC16A3 (0.38) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL26290022 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDGPR84HSD17B10
SCHEMBL6995620 0.83 GPR84 (0.38) KDM4EALDH1A1HPGDCDC25BGPR84
SCHEMBL7528619 0.82 GPR84 (0.48) KDM4EALDH1A1HPGDGPR84NPC1
SCHEMBL7936515 0.81 KEAP1 (0.42) KDM4EALDH1A1HPGDRAB9AMAPT

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-1140892-A1 PHOTOCHROMIC SUBSTIITUTED 2H-NAPHTHO[1,2-B]PYRANS JAMES ROBINSON LIMITED (GB) 2001-10-10 EP disclosed
WO-2000035902-A1 PHOTOCHROMIC SUBSTITUTED 2H-NAPHTHO[1,2-b]PYRANS JAMES ROBINSON LIMITED (GB) 2000-06-22 WO disclosed