SCHEMBL11096851

SCHEMBL11096851

OCc1cnc(C2CCCCC2)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ MAPK1 P28482 2/20 0.47
▸ CYP19A1 P11511 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDE1A P54750 2/20 0.41
▸ PDE1B Q01064 2/20 0.41
▸ PDE1C Q14123 2/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ TSHR P16473 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
SCHEMBL3373963 0.76 POLB (0.63) POLBKMT2AALDH1A1HTTMAPK1
SCHEMBL11100209 0.75 KMT2A (0.51) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL7165398 0.73 POLB (0.63) POLBKMT2AALDH1A1LMNAHTT
SCHEMBL11095680 0.73 KMT2A (0.49) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL11379543 0.73 KMT2A (0.49) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL14005999 0.72 POLB (0.66) POLBKMT2AALDH1A1KDM4EHTT
SCHEMBL2733465 0.71 POLB (0.60) POLBKMT2AALDH1A1KDM4ELMNA
SCHEMBL4212102 0.70 ALDH1A1 (0.56) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL27757638 0.67 KCNH2 (0.48) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11510475 0.66 ALDH1A1 (0.70) POLBKMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028834-B1 IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-18 — — EP disclosed
US-4355040-A Hypotensive imidazole-5-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 — — US disclosed
EP-0028834-A1 Imidazole-5-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 — — EP disclosed
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