SCHEMBL8954843

SCHEMBL8954843

N#Cc1cccc(C[C@](N)(C(=O)N2Cc3ccccc3CC2C(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ KAT6A Q92794 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ ACE P12821 4/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL8954944 0.86 CASR (0.38) MMP8MMP3KAT6APIN1OPRM1
SCHEMBL8954783 0.86 F10 (0.49) F10
SCHEMBL8954993 0.85 CASR (0.41) KAT6APIN1F10ALDH1A1CASR
SCHEMBL8954645 0.84 F10 (0.40) POLBTDP1BCL2BCL2L1F10
SCHEMBL8954607 0.82 CASR (0.36) KAT6APIN1F10ACECASR
SCHEMBL9710643 0.80 MMP8 (0.40) MMP8MMP3POLBKAT6AL3MBTL1
SCHEMBL8954996 0.80 F10 (0.39) MMP8MMP3F10
SCHEMBL8954682 0.79 ALOX5AP (0.38) KAT6APIN1F10ALDH1A1CASR
SCHEMBL9664400 0.79 ALDH1A1 (0.47) KAT6AF10ALDH1A1CASR
SCHEMBL9710558 0.79 MMP8 (0.38) MMP8MMP3POLBKAT6AL3MBTL1

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
Send feedback