SCHEMBL9257560

SCHEMBL9257560

CCC(=O)N1C(=O)OCC1(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
OPRM1 P35372 1/20 0.43
IDH1 O75874 7/20 0.40
BLM P54132 1/20 0.38
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTOR P42345 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
SCHEMBL7067987 0.86 USP2 (0.48) TP53MAPTLMNAIDH1POLB
SCHEMBL6958441 0.76 TP53 (0.36) TP53MAPTLMNAALDH1A1
SCHEMBL6902727 0.74 IDH1 (0.44) LMNAIDH1ALDH1A1
SCHEMBL14830721 0.73 MAPK1 (0.38) TP53IDH1ALDH1A1
SCHEMBL9274384 0.72 MAPT (0.46) MAPTLMNAALDH1A1
SCHEMBL10308853 0.72 IDH1 (0.48) IDH1
SCHEMBL8475478 0.72 IDH1 (0.51) IDH1ALDH1A1MTOR
SCHEMBL8475475 0.72 IDH1 (0.51) IDH1ALDH1A1MTOR
SCHEMBL28613647 0.72 TP53 (0.35) TP53LMNAIDH1ALDH1A1
SCHEMBL27992730 0.70 USP2 (0.44) LMNAPOLBUSP2

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-0632802-A1 NEW ALKYLATING REAGENT, PROCESS FOR PREPARING THE SAME AND ITS USE SCHERING AKTIENGESELLSCHAFT (DE) 1995-01-11 EP claimed
WO-1993019043-A1 NEW ALKYLATING REAGENT, PROCESS FOR PREPARING THE SAME AND ITS USE SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-30 WO claimed