SCHEMBL7525610

SCHEMBL7525610

CC(C)OC(=O)C[C@@H](NC1CCC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7380230 0.85 EPHX2 (0.39) LMNASMN1; SMN2CYP2D6ALDH1A1CYP3A4
SCHEMBL7412459 0.81 THRB (0.41) LMNACYP2D6ALDH1A1TSHRMAPT
SCHEMBL7377849 0.81 THRB (0.41) LMNACYP2D6ALDH1A1TSHRMAPT
SCHEMBL7379026 0.78 THRB (0.44) LMNASMN1; SMN2CYP2D6ALDH1A1TSHR
SCHEMBL26529447 0.78 EPHX1 (0.41) LMNAMMP1MMP2SMN1; SMN2CYP2D6
SCHEMBL38058 0.77 EPHX1 (0.40) LMNACYP2D6EPHX1
SCHEMBL38057 0.77 EPHX1 (0.40) LMNACYP2D6EPHX1
SCHEMBL10825239 0.76 EPHX1 (0.43) LMNASMN1; SMN2CYP2D6HPGDEPHX1
SCHEMBL19744864 0.76 EPHX1 (0.43) LMNASMN1; SMN2CYP2D6HPGDEPHX1
SCHEMBL11205755 0.76 CXCR4 (0.39) LMNAMMP1SMN1; SMN2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922054-B1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2002-08-14 EP disclosed
US-6235707-B1 Anticoagulant peptidyl-arginine aldehyde derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-05-22 US disclosed
EP-0922054-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 1999-06-16 EP disclosed
WO-1997046576-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1997-12-11 WO disclosed