SCHEMBL11098089

SCHEMBL11098089

COc1cc(-c2nc(Cl)c(CC(=O)O)n2Cc2ccccc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CXCL12 P48061 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ MAOA P21397 1/20 0.41

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
SCHEMBL11164570 0.84 ALDH1A1 (0.57) GAAKDM4EALDH1A1MAPTPTGDR2
SCHEMBL11093981 0.83 TLR7 (0.49) GAAALDH1A1TSHRKMT2APLA2G1B
SCHEMBL10227 0.81 CACNA1G (0.46) GAAKDM4EPTGDR2PLA2G2A
SCHEMBL11093449 0.81 ALDH1A1 (0.48) GAAKDM4EALDH1A1TSHRMEN1
SCHEMBL8954292 0.81 ALDH1A1 (0.49) KDM4EALDH1A1PTGDR2MEN1KMT2A
SCHEMBL11092577 0.80 CASR (0.47) KDM4EALDH1A1PLA2G2A
SCHEMBL11098913 0.80 CCR2 (0.50) GAAKDM4EALDH1A1MAPTPOLB
SCHEMBL6227119 0.80 ALDH1A1 (0.43) GAAALDH1A1MEN1KMT2APLA2G2A
SCHEMBL7048392 0.80 AGTR1 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL5331525 0.79 AGTR1 (0.42) GAAALDH1A1MEN1KMT2APLA2G2A

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-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
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