SCHEMBL10973108

SCHEMBL10973108

COC(=O)CCN(Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PTGDR2 Q9Y5Y4 3/20 0.46
▸ KDM1A O60341 2/20 0.45
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ RCOR1 Q9UKL0 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ ENPP2 Q13822 2/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL10752287 0.85 MEN1 (0.44) POLBTP53MAPTPTGDR2KDM1A
SCHEMBL10973111 0.79 HDAC6 (0.39) ALDH1A1
SCHEMBL10972161 0.78 USP2 (0.40) MAPTALDH1A1TSHR
SCHEMBL14861373 0.77 TDP1 (0.48) NPC1RAB9AALDH1A1TSHR
SCHEMBL9315961 0.77 POLB (0.61) POLBTP53MAPTPTGDR2KDM1A
SCHEMBL10973105 0.77 POLB (0.49) POLBTP53MAPTPTGDR2KDM1A
SCHEMBL2226376 0.75 SMN1; SMN2 (0.51) POLBNPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL3968828 0.75 CCR6 (0.54) KAT2BALDH1A1
SCHEMBL8579394 0.74 SMN1; SMN2 (0.61) POLBTP53MAPTPTGDR2KDM1A
SCHEMBL10977964 0.74 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1

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-0149534-A2 Novel thioketene derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-07-24 — — EP disclosed
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