SCHEMBL7751977

SCHEMBL7751977

COC(=O)C(CCC(=O)Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CCR5 P51681 1/20 0.40
GLS O94925 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
MAPT P10636 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
SCHEMBL7980726 0.87 KMT2A (0.55) KMT2AESR1ESR2MEN1TSHR
SCHEMBL19002198 0.85 KMT2A (0.53) KMT2AESR1ESR2MEN1TSHR
SCHEMBL27846661 0.83 KMT2A (0.55) KMT2AESR1ESR2MEN1TSHR
SCHEMBL2288515 0.81 KMT2A (0.56) KMT2AESR1ESR2MEN1GPR88
SCHEMBL12158259 0.81 TSHR (0.49) KMT2AESR1ESR2MEN1TSHR
SCHEMBL9066698 0.81 CYP2C19 (0.42) TSHRL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL1533272 0.81 KMT2A (0.51) KMT2AESR1ESR2MEN1TSHR
SCHEMBL1094245 0.80 KMT2A (0.55) KMT2AESR1ESR2MEN1TSHR
SCHEMBL5257603 0.80 KMT2A (0.55) KMT2AESR1ESR2MEN1TSHR
SCHEMBL13684889 0.80 KMT2A (0.55) KMT2AESR1ESR2MEN1TSHR

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
JP-2001261645-A (3S)-3-METHOXYCARBONYL-4-PHENYLBUTYRYL CHLORIDE AND METHOD FOR USING THE SAME KISSEI PHARMACEUT CO LTD 2001-09-26 JP disclosed