SCHEMBL8913587

SCHEMBL8913587

CCOC(=O)C(C(C)=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PRMT1 Q99873 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL3310151 0.93 ATM (0.56) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL3313145 0.84 ALDH1A1 (0.57) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL9308762 0.82 ALDH1A1 (0.53) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL28523059 0.81 KMT2A (0.56) ATMALDH1A1MEN1KMT2AMAPK1
SCHEMBL9308521 0.80 MEN1 (0.58) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL17892122 0.78 ATM (0.55) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL7475308 0.77 ALDH1A1 (0.70) ALDH1A1MAPK1GAACYP2C19PKM
SCHEMBL17892175 0.77 IGF1R (0.54) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL4083554 0.76 LMNA (0.60) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL9643788 0.76 LMNA (0.60) ALDH1A1LMNAMEN1KMT2AMAPK1

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-5670508-A ANTITUMOR AGENTS FOR BRAIN TUMORS NATIONAL SCIENCE COUNCIL (TW) 1997-09-23 US disclosed