SCHEMBL6682111

SCHEMBL6682111

O=C(Nc1ccccc1CCO)Nc1cc(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.46
▸ SLC16A3 O15427 5/20 0.42
▸ IDH2 P48735 4/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ FABP4 P15090 1/20 0.39
▸ LTB4R Q15722 1/20 0.39

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
SCHEMBL6478998 0.82 MEN1 (0.50) TRPV1IDH2RAB9ALMNANPC1
SCHEMBL6479006 0.77 FOLH1 (0.45) TRPV1SLC16A3RAB9ALMNASMN1; SMN2
SCHEMBL6490134 0.76 MGLL (0.65) TRPV1MEN1KMT2AMAPT
SCHEMBL23086244 0.76 IDH2 (0.50) IDH2RAB9ALMNANPC1SMN1; SMN2
SCHEMBL31253047 0.74 MAPT (0.51) RAB9ALMNANPC1SMN1; SMN2TDP1
SCHEMBL6684180 0.73 TRPV1 (0.63) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL6480620 0.72 MGLL (0.51) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4688032 0.72 ALDH1A1 (0.49) TRPV1SLC16A3LMNAALDH1A1GAA
SCHEMBL31253065 0.71 LTB4R (0.48) TDP1MEN1KMT2AALDH1A1LTB4R
SCHEMBL27849340 0.71 KCNK3 (0.56) SLC16A3RAB9ALMNANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 — — EP claimed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 — — WO claimed
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