SCHEMBL9059239

SCHEMBL9059239

C[C@H](Nc1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.56
CTSL P07711 1/20 0.56
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
MAOB P27338 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
LTA4H P09960 1/20 0.54
NR4A2 P43354 1/20 0.54
PTGES O14684 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
SMPD1 P17405 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
FFAR1 O14842 1/20 0.52
GPR132 Q9UNW8 2/20 0.51
PTPN1 P18031 1/20 0.50
SGMS2 Q8NHU3 1/20 0.50

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
SCHEMBL9059240 1.00 CTSV (0.56) CTSVCTSLPDK1PDK2PDK3
SCHEMBL23771089 0.90 LTA4H (0.60) CTSVCTSLPDK1PDK2PDK3
SCHEMBL23771078 0.90 LTA4H (0.60) CTSVCTSLPDK1PDK2PDK3
SCHEMBL5954366 0.85 LTA4H (0.63) MAOBLTA4H
SCHEMBL5954364 0.85 LTA4H (0.63) MAOBLTA4H
SCHEMBL5297419 0.81 PTGS1 (0.56) SIRT2MEN1KMT2ALMNAFFAR1
SCHEMBL19675761 0.81 PDK1 (0.58) CTSVCTSLPDK1PDK2PDK3
SCHEMBL6274304 0.80 MTNR1B (0.57) MEN1KMT2A
SCHEMBL26616883 0.80 MTNR1B (0.57) MEN1KMT2A
SCHEMBL5011050 0.79 RAB9A (0.67) KMT2ALMNA

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-0725790-A1 SUBSTITUTED TETRA- AND PENTAPEPTIDE INHIBITORS OF PROTEIN:FARNESYL TRANSFERASE PARKE DAVIS & COMPANY (US) 1996-08-14 EP disclosed
WO-1996017861-A1 SUBSTITUTED TETRA- AND PENTAPEPTIDE INHIBITORS OF PROTEIN:FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed
WO-1995011917-A1 SUBSTITUTED TETRA- AND PENTAPEPTIDE INHIBITORS OF PROTEIN:FARNESYL TRANSFERASE PARKE, DAVIS & COMPANY (US) 1995-05-04 WO disclosed