SCHEMBL9852754

SCHEMBL9852754

O=C(Cc1cccc2ccccc12)N[C@@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
PTGER4 P35408 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.51
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL4954937 0.87 TDP1 (0.58) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL1514490 0.87 TDP1 (0.58) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL22129672 0.87 HRH4 (0.57) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL22129673 0.87 HRH4 (0.57) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL9632016 0.86 HRH4 (0.47) PIN1TDP1MMEACECPA1
SCHEMBL24130549 0.86 PIN1 (0.55) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL22129667 0.86 PIN1 (0.55) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL10722504 0.86 PIN1 (0.64) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL2326317 0.84 PIN1 (0.52) PIN1TDP1MEN1KMT2ALMNA
SCHEMBL9727776 0.83 HRH4 (0.53) PIN1MEN1KMT2AMMEACE

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-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed