SCHEMBL8870976

SCHEMBL8870976

Cc1cccc(C2N[C@H](C(=O)O)CC2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KAT6A Q92794 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 3/20 0.37
HDAC4 P56524 1/20 0.37
FFAR1 O14842 1/20 0.36
HTR2C P28335 2/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 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
SCHEMBL8870968 1.00 MMP2 (0.41) MMP2KMT2AMEN1KAT6AALDH1A1
SCHEMBL8669917 0.87 MMP3 (0.39) MMP2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8870760 0.79 CYP3A4 (0.37) MMP2KMT2AMEN1LMNACYP2C19
SCHEMBL8870755 0.79 CYP3A4 (0.37) MMP2KMT2AMEN1LMNACYP2C19
SCHEMBL8685324 0.74 L3MBTL1 (0.38) KMT2AMEN1MAPTUSP2
SCHEMBL8871034 0.74 KMT2A (0.38) MMP2KMT2AMEN1KAT6AALDH1A1
SCHEMBL8666857 0.74 KMT2A (0.38) MMP2KMT2AMEN1KAT6AALDH1A1
SCHEMBL8871401 0.73 P4HTM (0.35) KMT2AMEN1KAT6AALDH1A1LMNA
Hydrochloric Acid SCHEMBL8666991 0.73 KMT2A (0.37) KMT2AMEN1KAT6AALDH1A1LMNA
SCHEMBL8871412 0.73 P4HTM (0.35) KMT2AMEN1KAT6AALDH1A1LMNA

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed