SCHEMBL28119178

SCHEMBL28119178

O=C(O)Cc1cc(CC(=O)O)cc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.44
▸ THRB P10828 8/20 0.43
▸ CA2 P00918 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL15093632 0.95 AKR1B1 (0.44) AKR1B1THRBCA2KDM4ELMNA
SCHEMBL583915 0.83 AKR1B1 (0.60) AKR1B1THRBCA2KDM4ELMNA
SCHEMBL11763442 0.81 AKR1B1 (0.48) AKR1B1THRBCA2KDM4ELMNA
SCHEMBL19202480 0.81 AKR1B1 (0.48) AKR1B1THRBCA2KDM4ELMNA
SCHEMBL12694824 0.80 GLRA1 (0.32) —
SCHEMBL7969088 0.79 AKR1B1 (0.54) AKR1B1CA2KDM4ELMNAGAA
SCHEMBL3182472 0.77 CA2 (0.58) AKR1B1CA2KDM4ELMNAGAA
SCHEMBL21273844 0.76 CA2 (0.50) AKR1B1THRBCA2KDM4ELMNA
SCHEMBL15167238 0.76 AKR1B1 (0.48) AKR1B1THRBCA2KDM4ELMNA
SCHEMBL14511356 0.75 AKR1B1 (0.52) AKR1B1THRBCA2KDM4ELMNA

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
CN-106257977-B Composite polyamide membrane post-treated with nitrous acid DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-29 — — CN disclosed
CN-106257977-A Composite polyamide membrane post-treated with nitrous acid 陶氏环球技术有限责任公司 2016-12-28 — — CN disclosed
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