SCHEMBL9507230

SCHEMBL9507230

COc1cccc(CC(CC(C)C)(C(=O)O)C(=O)O)c1SCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.40
LNPEP Q9UIQ6 3/20 0.38
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9509549 0.81 KMT2A (0.43) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL9509591 0.73 FFAR1 (0.39) L3MBTL1GAA
SCHEMBL9510856 0.73 RAB9A (0.44) CTSBRAB9AMEN1KMT2ANPC1
SCHEMBL31172708 0.72 RAB9A (0.46) CTSBRAB9AMEN1KMT2ANPC1
SCHEMBL6158106 0.72 SMN1; SMN2 (0.48) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL9507496 0.71 HTR7 (0.46) CTSBRAB9AMEN1KMT2ANPC1
SCHEMBL9510871 0.70 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL31172667 0.70 TP53 (0.48) CTSBRAB9AMEN1KMT2ANPC1
SCHEMBL31172632 0.68 RAB9A (0.44) CTSBRAB9AMEN1KMT2ANPC1
SCHEMBL9507226 0.67 L3MBTL1 (0.43) MEN1KMT2AHPGDHTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358305-B1 MERCAPTO-PHENYLALCANOYLAMINO ACID AMIDES, THEIR PREPARATION AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1993-08-25 EP disclosed
US-5124322-A Antiarthritic agents BEECHAM GROUP P.L.C. (GB) 1992-06-23 US disclosed
EP-0358305-A1 Mercapto-phenylalcanoylamino acid amides, their preparation and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1990-03-14 EP disclosed