SCHEMBL10947987

SCHEMBL10947987

CCCCCCCCCCCCCCCC(=O)OC1=C(c2ccc(Cl)c(C(F)(F)F)c2)C(=O)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NOTUM Q6P988 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL10950579 0.88 HPGD (0.41) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10944971 0.84 HPGD (0.38) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10948656 0.84 HPGD (0.39) HPGDLMNAKMT2AALDH1A1MAPK1
SCHEMBL10948933 0.83 KMT2A (0.37) HPGDLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10945418 0.81 KMT2A (0.38) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10946604 0.81 GAA (0.39) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10946309 0.80 KMT2A (0.40) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10945217 0.80 KMT2A (0.40) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10948746 0.80 KMT2A (0.40) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10732025 0.80 HPGD (0.38) HPGDKMT2ASMN1; SMN2ALDH1A1MAPK1

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
Send feedback