SCHEMBL9370641

SCHEMBL9370641

COC(=O)c1cc(-c2ccc(O)cc2OC)cc(C(=O)OC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 1/20 0.55
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
APP P05067 1/20 0.41
PTPN1 P18031 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL9370649 0.95 ESR1 (0.50) ESR1ESR2MAOBMAPK1CA12
SCHEMBL17595027 0.87 ESR1 (0.56) ESR1ESR2MAOBPTPN1GUSB
SCHEMBL9376516 0.85 CYP1A2 (0.51) MEN1KMT2ACYP1A1CYP1A2CYP2E1
SCHEMBL22219101 0.84 HSD17B1 (0.49) ESR1ESR2CA12CA1CA2
SCHEMBL9373803 0.81 MKNK1 (0.42) MAPK1CA12CA1CA2CA7
SCHEMBL9376523 0.81 DHODH (0.49) MEN1KMT2ACYP1A1CYP1A2CYP2E1
SCHEMBL12049190 0.80 CNR2 (0.46) ESR1ESR2MAPK1CA12CA1
SCHEMBL21044559 0.78 CA12 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL9370132 0.78 MCL1 (0.46) MAPK1
SCHEMBL9370136 0.75 MCL1 (0.52) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
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