SCHEMBL7363930

SCHEMBL7363930

CC(C)CC(N)C(O)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 1/20 0.49
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
AAK1 Q2M2I8 2/20 0.45
CASR P41180 1/20 0.43
RAB9A P51151 4/20 0.42
APEX1 P27695 1/20 0.41
UBE2T Q9NPD8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6651670 0.87 LOXL2 (0.60) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6651863 0.87 LOXL2 (0.60) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6651861 0.87 LOXL2 (0.60) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2839532 0.83 LOXL2 (0.64) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6632792 0.83 LOXL2 (0.56) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8323672 0.82 LOXL2 (0.58) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8319172 0.82 LOXL2 (0.62) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7730593 0.80 AAK1 (0.49) LOXL2HPGDCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6356550 0.79 HPGD (0.52) LOXL2HPGDCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7347434 0.79 HPGD (0.52) LOXL2HPGDCYP1A2CYP2C9CYP2C19

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed