SCHEMBL29150177

SCHEMBL29150177

CC(CI)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 6/20 0.47
▸ POLB P06746 2/20 0.45
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ GABBR2 O75899 3/20 0.40
▸ GABBR1 Q9UBS5 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL31686418 0.84 FFAR2 (0.49) FFAR2POLBCYP2C9CYP2D6CYP2C19
SCHEMBL7140500 0.83 GABBR2 (0.51) FFAR2POLBCYP2C9CYP2D6CYP2C19
SCHEMBL1405698 0.80 FFAR2 (0.65) FFAR2MEN1KMT2ALMNA
SCHEMBL1677207 0.80 FFAR2 (0.65) FFAR2MEN1KMT2ALMNA
SCHEMBL68169 0.80 FFAR2 (0.65) FFAR2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9862940 0.78 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL10607681 0.78 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
SCHEMBL27563008 0.78 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
SCHEMBL7525386 0.78 FFAR2 (0.53) FFAR2POLBCYP2C9CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9862939 0.78 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA

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
CN-117177989-A Activity-inducible fusion proteins with heat shock protein 90 binding domain 西雅图儿童医院以西雅图儿童研究机构名义经营 2023-12-05 — — CN disclosed
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