SCHEMBL10949114

SCHEMBL10949114

CC(=O)OC1=C(c2ccc(Cl)cc2)C(=O)C(C)CC1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.37
▸ SLC6A3 Q01959 6/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ ABCB11 O95342 1/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL18971261 0.67 SLC6A3 (0.37) SLC6A3ALDH1A1KDM4E
SCHEMBL29172384 0.65 HSD17B10 (0.63) HSP90AA1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL10945067 0.64 LMNA (0.40) PREPPOLBSMN1; SMN2LMNA
SCHEMBL10946923 0.64 KMT2A (0.46) PREPHSP90AA1HSP90AB1PTGS2SRC
SCHEMBL27877483 0.62 SLC6A4 (0.53) SLC6A3HSP90AA1HSP90AB1PTGS2ALDH1A1
SCHEMBL76135 0.62 LMNA (0.64) SLC6A3HSP90AA1POLBALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL22437493 0.60 LMNA (0.61) SLC6A3HSP90AA1POLBALDH1A1SMN1; SMN2
SCHEMBL27364336 0.60 LMNA (0.61) SLC6A3HSP90AA1POLBALDH1A1SMN1; SMN2
SCHEMBL18184942 0.60 LMNA (0.61) SLC6A3HSP90AA1POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27466889 0.60 LMNA (0.61) SLC6A3HSP90AA1POLBALDH1A1SMN1; SMN2

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
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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