SCHEMBL28117640

SCHEMBL28117640

Cc1c(O)cccc1-c1c[nH]nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 5/20 0.33
HPGD P15428 5/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
ALOX15 P16050 3/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL472926 0.82 ALDH1A1 (0.39) TRPA1MAPTHPGDSMN1; SMN2ALOX15
SCHEMBL5472177 0.82 CNR2 (0.40) TRPA1ATMRAB9ASMN1; SMN2GAA
SCHEMBL207829 0.82 IDO1 (0.47) MAPTHPGDRAB9ASMN1; SMN2NFKB1
SCHEMBL30549532 0.82 IDO1 (0.47) MAPTHPGDRAB9ASMN1; SMN2NFKB1
SCHEMBL1042068 0.80 IDO1 (0.42) MAPTHPGDRAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL30549508 0.80 IDO1 (0.46) MAPTHPGDRAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL21412101 0.79 MAOA (0.37) TRPA1ATMMAPTHPGDSMN1; SMN2
SCHEMBL5613032 0.79 MEN1 (0.32) IDO1MEN1KMT2APARP1
SCHEMBL3388195 0.79 IDO1 (0.53) MAPTHPGDRAB9ASMN1; SMN2MGAM
SCHEMBL29569413 0.77 ERN1 (0.34) MAPTCA1CA2PARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106332545-B Sprayable sunscreen composition and method 伊诺莱克斯投资公司 2019-11-26 CN disclosed
CN-106332545-A Sprayable sunscreen compositions and methods 伊诺莱克斯投资公司 2017-01-11 CN disclosed