SCHEMBL28306248

SCHEMBL28306248

CC1CC(c2ccc(O)c(O)c2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPN1 P18031 1/20 0.41
ALOX5 P09917 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 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
SCHEMBL2401229 0.86 SLC22A12 (0.46) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL2401503 0.86 SLC22A12 (0.46) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL2401233 0.86 SLC22A12 (0.46) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL8527042 0.81 ESR2 (0.40)
SCHEMBL2398474 0.78 PARP1 (0.40) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL2399864 0.78 PARP1 (0.40) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL12268022 0.78 PARP1 (0.40) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL8739473 0.78 PARP1 (0.40) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL2398478 0.78 PARP1 (0.40) PARP1NPC1RAB9APTPN1ALOX5
SCHEMBL27792303 0.77 HTR2A (0.41) NPC1RAB9ASLC6A2SLC6A4SLC6A3

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-104883896-B The preparation method and its usage of blowing promotor 雀巢产品技术援助有限公司 2019-06-21 CN claimed
CN-104883896-B The preparation method and its usage of blowing promotor 雀巢产品技术援助有限公司 2019-06-21 CN disclosed