SCHEMBL11214872

SCHEMBL11214872

CCC(CC)COC(=O)CO[PH](=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL28715254 0.81 TSHR (0.42) TSHRTDP1ALDH1A1
SCHEMBL3618711 0.78 GAA (0.48) TSHRALDH1A1LMNACA2
SCHEMBL8438065 0.78 CYP3A4 (0.31) TSHRCYP3A4ATMTDP1
Butane SCHEMBL5481709 0.75 GAA (0.44) TSHRALDH1A1LMNACA2
SCHEMBL3929486 0.73 MGAM (0.52) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3628331 0.73 TSHR (0.52) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3740920 0.73 TSHR (0.62) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL420275 0.70 CYP3A4 (0.75) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL6912700 0.70 TSHR (0.63) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL2887233 0.70 TSHR (0.48) TSHRCYP3A4ATMTDP1RECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013461-B1 PROCESS FOR THE PREPARATION OF A SEGMENTED THERMOPLASTIC ELASTOMER AKZO N.V. (NL) 1983-04-06 EP claimed
EP-0013461-B1 PROCESS FOR THE PREPARATION OF A SEGMENTED THERMOPLASTIC ELASTOMER AKZO N.V. (NL) 1983-04-06 EP disclosed