SCHEMBL27725822

SCHEMBL27725822

Cc1c(O)ccc2ccc3c4ccc5ccccc5c4ccc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.54
▸ CYP1A2 P05177 5/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ PTPN22 Q9Y2R2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL27681131 0.82 CYP1A2 (0.63) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL25279300 0.82 HPRT1 (0.56) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL27869292 0.81 HPRT1 (0.50) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL254544 0.81 CYP1A2 (0.60) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL29946590 0.81 CYP1A2 (0.60) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL29436081 0.80 CYP1A2 (0.60) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL20508159 0.80 CYP1A2 (0.60) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL11076291 0.80 HPRT1 (0.58) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL30903911 0.80 CYP1A2 (0.60) HPRT1CYP1A2HSD17B10HPGDTSHR
SCHEMBL27684934 0.80 MAPT (0.46) HPRT1CYP1A2HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104583224-A Process for preparing diastereomerically enriched phosphoramidate derivatives of nucleoside compounds for treatment of viral infections BRISTOL MYERS SQUIBB CO 2015-04-29 — — CN disclosed
CN-101535299-B 5-lipoxygenase-activating protein (flap) inhibitors PANMIRA PHARMACEUTICALS LLC 2013-09-25 — — CN disclosed
CN-101331117-B 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC 2012-09-05 — — CN disclosed
CN-102295637-A 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC 2011-12-28 — — CN disclosed
CN-101687791-A 5-lipoxygenase-activating protein (flap) inhibitors AMIRA PHARMACEUTICALS INC 2010-03-31 — — CN disclosed
CN-101535299-A 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC (US) 2009-09-16 — — CN disclosed
CN-101331117-A 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC (US) 2008-12-24 — — CN disclosed
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 — — CN disclosed
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