SCHEMBL4058416

SCHEMBL4058416

c1ccc([C]2OC2c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ADK P55263 1/20 0.33
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29253910 0.69 KDM4E (0.45) ALDH1A1CA2RAB9ASLC6A3KMT2A
SCHEMBL31650964 0.69 ALDH1A1 (0.56) ALDH1A1CA2RAB9ASLC6A3KMT2A
SCHEMBL28452557 0.67 ALDH1A1 (0.54) ALDH1A1CA2RAB9ASLC6A3KMT2A
SCHEMBL983728 0.67 ALDH1A1 (0.54) ALDH1A1CA2RAB9ASLC6A3KMT2A
SCHEMBL15692442 0.67 ALDH1A1 (0.43) ALDH1A1CA2RAB9ASLC6A3KMT2A
Biphenyl SCHEMBL29552487 0.64 ALDH1A1 (0.90) ALDH1A1CA2RAB9ALMNAMAPT
Biphenyl SCHEMBL38656493 0.64 ALDH1A1 (0.90) ALDH1A1CA2RAB9ALMNAMAPT
SCHEMBL14064807 0.63 ALDH1A1 (0.50) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL24624826 0.61 ALDH1A1 (0.47) ALDH1A1CA2RAB9ASLC6A3KMT2A
SCHEMBL1199046 0.60 EPHX1 (0.52) KMT2AMEN1POLBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207877-B1 ANTI-INFLAMMATORY ACTIONS OF CYTOCHROME P450 EPOXYGENASE-DERIVED EICOSANOIDS BRIGHAM & WOMENS HOSPITAL (US) 2009-10-21 EP disclosed
US-6916843-B1 Anti-inflammatory actions of cytochrome P450 expoxygenase-derived eicosanoids THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-07-12 US disclosed
EP-1207877-A4 ANTI-INFLAMMATORY ACTIONS OF CYTOCHROME P450 EPOXYGENASE-DERIVED EICOSANOIDS BRIGHAM & WOMENS HOSPITAL (US) 2004-06-09 EP disclosed
EP-1207877-A1 ANTI-INFLAMMATORY ACTIONS OF CYTOCHROME P450 EPOXYGENASE-DERIVED EICOSANOIDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-05-29 EP disclosed
WO-2001010438-A1 ANTI-INFLAMMATORY ACTIONS OF CYTOCHROME P450 EPOXYGENASE-DERIVED EICOSANOIDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-02-15 WO disclosed