SCHEMBL16728481

SCHEMBL16728481

CC(=O)N(c1ccc2ccccc2c1)[C@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
UGT2B7 P16662 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL1471742 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL7776950 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL27702986 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3390208 0.84 RECQL (0.44) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL30893951 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL1061794 0.81 LMNA (0.49) KMT2AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL11249889 0.81 LMNA (0.49) KMT2AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL2968427 0.81 LMNA (0.49) KMT2AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6659711 0.81 KDM4E (0.49) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL5170037 0.81 KDM4E (0.49) MEN1KMT2AALDH1A1SMN1; SMN2PPARG

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-9040482-B2 Octapeptide compounds and therapeutic use thereof IPSEN PHARMA S.A.S. (FR) 2015-05-26 US disclosed