SCHEMBL9510972

SCHEMBL9510972

COC(c1ccccc1)C(CC(C)C)(SCc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
EPHX1 P07099 4/20 0.36
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.34
CASP8 Q14790 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PRMT1 Q99873 1/20 0.34
RECQL P46063 1/20 0.34
FFAR1 O14842 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9508519 0.70 SMN1; SMN2 (0.41) L3MBTL1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5695668 0.68 CYP1A2 (0.37) L3MBTL1CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL934106 0.66 KMT2A (0.46) L3MBTL1TSHRCYP3A4CYP2D6MAPK1
SCHEMBL16391353 0.66 KMT2A (0.46) L3MBTL1TSHRCYP3A4CYP2D6LMNA
SCHEMBL490867 0.65 KMT2A (0.44) L3MBTL1TSHRCYP3A4CYP2D6MAPK1
SCHEMBL9068773 0.64 CYP1A2 (0.53) EPHX1CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL28223055 0.64 CYP1A2 (0.41) EPHX1TSHRCYP1A2CYP2D6RECQL
SCHEMBL16447678 0.64 KMT2A (0.43) L3MBTL1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL11851694 0.62 KCNN4 (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL16407736 0.62 KMT2A (0.42) L3MBTL1TSHRCYP1A2CYP3A4LMNA

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