SCHEMBL20985452

SCHEMBL20985452

CCCCCC/C=C/CCCCCCCc1cc(O)c(C)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBS P35520 1/20 0.54
▸ PTGS2 P35354 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ CYP3A4 P08684 2/20 0.50
▸ GPR119 Q8TDV5 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ IDE P14735 1/20 0.47

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
SCHEMBL9472734 1.00 CBS (0.54) CBSPTGS2NPC1HPGDMAPK1
SCHEMBL9472748 1.00 CBS (0.54) CBSPTGS2NPC1HPGDMAPK1
SCHEMBL29911492 0.97 CBS (0.54) CBSPTGS2NPC1HPGDMAPK1
SCHEMBL28622928 0.93 CBS (0.54) CBSPTGS2NPC1HPGDMAPK1
SCHEMBL29186837 0.90 CBS (0.51) CBSPTGS2NPC1HPGDMAPK1
SCHEMBL9475529 0.90 CBS (0.51) CBSPTGS2NPC1HPGDMAPK1
SCHEMBL7521502 0.89 PTGS2 (0.64) PTGS2NPC1HPGDMAPK1RAB9A
SCHEMBL31545278 0.89 PTGS2 (0.64) PTGS2NPC1HPGDMAPK1RAB9A
SCHEMBL8591059 0.89 PTGS2 (0.64) PTGS2NPC1HPGDMAPK1RAB9A
SCHEMBL8588536 0.89 PTGS2 (0.64) PTGS2NPC1HPGDMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153304-A1 DRAG-REDUCING ADDITIVES HAVING DISPERSION POLYMERS AND MICROEMULSIONS AND METHODS FOR PREPARING AND USING SAME FLOTEK CHEMISTRY, LLC (US) 2019-05-23 — — US disclosed
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