SCHEMBL10907489

SCHEMBL10907489

CC#CCC(Cc1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MMP8 P22894 2/20 0.52
RECQL P46063 1/20 0.52
PIN1 Q13526 1/20 0.44
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 4/20 0.41
PTPRC P08575 1/20 0.41
PPID Q08752 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AMPD3 Q01432 1/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4419400 0.86 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL10906457 0.85 ALDH1A1 (0.52) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL7435532 0.83 ALDH1A1 (0.59) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL5916364 0.81 ALDH1A1 (0.57) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL13259166 0.81 MEN1 (0.48) ALDH1A1MMP8PIN1NPSR1LMNA
SCHEMBL17460412 0.80 ALDH1A1 (0.56) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL3963660 0.79 MEN1 (0.44) ALDH1A1MMP8RECQLPIN1NPSR1
SCHEMBL18065684 0.79 ALDH1A1 (0.55) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL1522684 0.79 ALDH1A1 (0.58) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL5661041 0.79 ALDH1A1 (0.55) ALDH1A1MMP8RECQLPIN1POLB

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-4602006-A Ynenolactone protease inhibitors SYNTEX (U.S.A.) INC. (US) 1986-07-22 US disclosed