SCHEMBL8054073

SCHEMBL8054073

Cc1cc(C)c(B(c2c(C)cc(C)cc2CCl)c2ccc(B(c3c(C)cc(C)cc3CCl)c3c(C)cc(C)cc3CCl)c3ccccc23)c(CCl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.32
PON1 P27169 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7456742 0.94 CYP1A2 (0.33) CYP1A2CYP2A6RAB9ANPC1MAPT
SCHEMBL8588261 0.88 CYP1A2 (0.40) CYP1A2CYP2A6RAB9ANPC1MAPT
SCHEMBL7459767 0.84 KMT2A (0.33) RAB9AKDM4EPON1MAPK1KMT2A
SCHEMBL7467805 0.83 CYP2A6 (0.47) CYP1A2CYP2A6RAB9ANPC1MAPT
SCHEMBL8588453 0.82 ALDH1A1 (0.41) CYP1A2CYP2A6RAB9AKDM4EPON1
SCHEMBL8436945 0.81 KMT2A (0.40) RAB9AKDM4EPON1MAPK1KMT2A
SCHEMBL8588371 0.81 FFAR4 (0.37) CYP1A2CYP2A6RAB9ANPC1MAPT
SCHEMBL8590039 0.80 LMNA (0.35) RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL7458895 0.78 KMT2A (0.36) RAB9AKDM4EPON1MAPK1KMT2A
SCHEMBL7466160 0.77 KMT2A (0.35) RAB9AKDM4EPON1MAPK1KMT2A

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
US-6057078-A PHOTOGRAPHY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US disclosed