SCHEMBL9556830

SCHEMBL9556830

CCOC(=O)C(Cc1ccc(CCl)cc1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
RECQL P46063 1/20 0.74
PKM P14618 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 2/20 0.53
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.48
ATM Q13315 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPRB P23467 2/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
ACP1 P24666 1/20 0.43
MMP8 P22894 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL9556836 0.93 ALDH1A1 (0.69) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL6557653 0.89 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL11124323 0.88 ALDH1A1 (0.78) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL6782409 0.87 ALDH1A1 (0.76) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9556731 0.87 ALDH1A1 (0.76) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL25942340 0.86 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL8495876 0.86 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL589164 0.86 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9849155 0.86 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL27631086 0.86 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB

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
CN-1688298-A Composition, Synthesis and Therapeutic Use of Polyamines MURPHY MICHAEL A (US) 2005-10-26 CN claimed
US-5190921-A Sulfates, sulfonates, phosphates, phosphonates, memory enhancement, neuroleptic agents INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-03-02 US disclosed