SCHEMBL4336271

SCHEMBL4336271

O=POc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TTR P02766 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL27826142 0.81 PNMT (0.44) ENPP2MRGPRX4
SCHEMBL13588650 0.79 KMT2A (0.41) TSHRSMN1; SMN2NPC1TP53MAPT
SCHEMBL28884101 0.76 SRC (0.54) TSHRSMN1; SMN2TTRENPP2GPBAR1
SCHEMBL6549531 0.75 LTA4H (0.48) TSHRTTRCYSLTR1PRSS1PRSS2
SCHEMBL28374505 0.74 TSHR (0.53) TSHRSMN1; SMN2TTRENPP2GPBAR1
SCHEMBL96382 0.74 TAAR1 (0.60) —
SCHEMBL16845934 0.74 TSHR (0.47) TSHRSMN1; SMN2TTRENPP2GPBAR1
SCHEMBL29587500 0.74 TAAR1 (0.60) —
SCHEMBL18360556 0.74 CYP3A4 (0.52) TSHRHSD17B10
SCHEMBL29244322 0.74 LTA4H (0.47) TSHRTTRCYSLTR1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048140-A1 Deuterated chemiluminescent 1,2-dioxetanes Giri, Brij P. (US) 2009-04-15 — — EP disclosed
EP-1453822-A4 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2004-11-24 — — EP disclosed
EP-1453822-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2004-09-08 — — EP disclosed
WO-2003054506-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ PAL (US) 2003-07-03 — — WO disclosed
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