SCHEMBL8797019

SCHEMBL8797019

CCOC(=O)CCC(C)CC[PH](=O)C(S)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.39
TNF P01375 1/20 0.39
CNR1 P21554 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CDC25B P30305 1/20 0.36
TOP2A P11388 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRNP P04156 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8528291 0.78 ALDH1A1 (0.39) TNFCNR1ALDH1A1HPGDCDC25B
SCHEMBL17348086 0.74 TNF (0.46) LTC4STNFCNR1ALDH1A1HPGD
SCHEMBL8529950 0.70 PRNP (0.40) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8530427 0.70 ALDH1A1 (0.39) ALDH1A1HPGDCYP4F2CYP4A11SMN1; SMN2
SCHEMBL7896766 0.69 ALDH1A1 (0.47) LTC4SALDH1A1HPGDCDC25BKMT2A
SCHEMBL7832871 0.68 TNF (0.48) LTC4STNFCNR1ALDH1A1HPGD
SCHEMBL25156303 0.68 KMT2A (0.52) LTC4SALDH1A1HPGDCDC25BSMN1; SMN2
SCHEMBL15203285 0.68 KMT2A (0.52) LTC4SALDH1A1HPGDCDC25BSMN1; SMN2
SCHEMBL31360448 0.68 KMT2A (0.52) LTC4SALDH1A1HPGDCDC25BSMN1; SMN2
SCHEMBL8764852 0.68 PRNP (0.57) ALDH1A1HPGDPRNPRXFP1MEN1

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
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed