SCHEMBL27564140

SCHEMBL27564140

CCC(C)(NC(=O)C(CC(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41

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
SCHEMBL7539441 0.80 CASP3 (0.54) FPR2CRHBPCRHR2CTSSCTSK
SCHEMBL27564138 0.75 CRHBP (0.47) CRHBPCRHR2CTSSCTSKKMT2A
SCHEMBL7544683 0.72 MAPT (0.45) FPR2CTSSCTSKRAB9AALDH1A1
SCHEMBL7546445 0.71 GAA (0.44) FPR2CTSSCTSKRAB9ATP53
SCHEMBL29142718 0.69 SMN1; SMN2 (0.61) KMT2ANPC1RAB9AMEN1NOX1
SCHEMBL21239484 0.69 FPR2 (0.57) FPR2KMT2ANPC1RAB9AMEN1
SCHEMBL21239550 0.69 FPR2 (0.57) FPR2KMT2ANPC1RAB9AMEN1
SCHEMBL21239463 0.69 FPR2 (0.57) FPR2KMT2ANPC1RAB9AMEN1
SCHEMBL21239527 0.69 FPR2 (0.57) FPR2KMT2ANPC1RAB9AMEN1
SCHEMBL21239464 0.69 FPR2 (0.57) FPR2KMT2ANPC1RAB9AMEN1

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
CN-1376143-A Carboxylic acid derivatives and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2002-10-23 — — CN disclosed
Send feedback