SCHEMBL4652910

SCHEMBL4652910

CCCCC(CC)COc1c(C(=O)O)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 2/20 0.48
CA2 P00918 1/20 0.48
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
LMNA P02545 5/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.42
MCL1 Q07820 3/20 0.42
CXCR2 P25025 1/20 0.42
HSD17B10 Q99714 1/20 0.41
BCL2 P10415 2/20 0.41
BCL2L1 Q07817 2/20 0.41
BAD Q92934 2/20 0.41
EDNRA P25101 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL4651842 0.86 MAPT (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4652909 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4651616 0.81 CXCR2 (0.51) ALDH1A1PTPN2PTPN1LMNAKMT2A
SCHEMBL15697532 0.79 PTPN2 (0.56) ALDH1A1PTPN2PTPN1LMNAKMT2A
SCHEMBL1401911 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29362343 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29281966 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4633961 0.75 CXCR2 (0.50) ALDH1A1PTPN2PTPN1LMNAKMT2A
SCHEMBL25274266 0.74 PTPN2 (0.53) ALDH1A1PTPN2PTPN1LMNAKMT2A
SCHEMBL11844844 0.74 PTPN2 (0.60) ALDH1A1PTPN2PTPN1LMNAKMT2A

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
EP-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed