SCHEMBL9370414

SCHEMBL9370414

COc1ccc(-c2cc(-c3ccco3)nc(-c3ccco3)c2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2A7 P20853 1/20 0.51
CYP3A7 P24462 1/20 0.51
CYP2F1 P24903 1/20 0.51
CYP2C18 P33260 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2J2 P51589 1/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4F8 P98187 1/20 0.51

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
SCHEMBL9541902 0.83 ADORA2A (0.47) ADORA2AADORA1RAB9AMAPTKDM4E
SCHEMBL3685709 0.82 CYP3A4 (0.54) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL7598921 0.81 CYP1A1 (0.61) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL7709129 0.75 ADORA2A (0.56) ADORA2A
SCHEMBL14805204 0.73 ADORA2A (0.49) ADORA2AADORA1RAB9AMAPTKDM4E
SCHEMBL17145021 0.73 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144466 0.71 CYP1A1 (0.57) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144737 0.71 CYP1A1 (0.61) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144531 0.71 CYP1A1 (0.60) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL7708817 0.70 CYP1A1 (0.59) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341298-B1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES BAXTER DIAGNOSTICS INC (US) 1994-06-22 EP disclosed
US-5252740-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1993-10-12 US disclosed
US-5245038-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1993-09-14 US disclosed
US-5116989-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1992-05-26 US disclosed
US-5106957-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1992-04-21 US disclosed
US-5055578-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1991-10-08 US disclosed
US-5032677-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER INTERNATIONAL INC. (US) 1991-07-16 US disclosed
EP-0341298-A4 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES. BAXTER INT (US) 1990-02-20 EP disclosed
EP-0341298-A1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES Baxter Diagnostics Inc. (US) 1989-11-15 EP disclosed
WO-1989004826-A1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES BAXTER INTERNATIONAL INC. (US) 1989-06-01 WO disclosed