SCHEMBL22280679

SCHEMBL22280679

Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c(OCCCCCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42
LTB4R Q15722 1/20 0.41
EGFR P00533 1/20 0.40
F2 P00734 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR7 P34969 1/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL11022587 0.97 RAB9A (0.50) RAB9ATP53MAPK1PTGDR2F2
SCHEMBL25853066 0.87 SOAT1 (0.49) RAB9ATP53PTGDR2LTB4RKDM4E
SCHEMBL25852986 0.87 RAB9A (0.63) RAB9ATP53MAPK1PTGDR2KDM4E
SCHEMBL25853056 0.84 RARB (0.45) RAB9ATP53MAPTLMNATSHR
SCHEMBL11021692 0.84 L3MBTL1 (0.44) RAB9ATP53MAPK1PTGDR2KDM4E
SCHEMBL30504185 0.84 CYP11B1 (0.54) RAB9ATP53MAPK1CYP1A2CYP2C9
SCHEMBL20928534 0.84 CYP11B1 (0.54) RAB9ATP53MAPK1CYP1A2CYP2C9
SCHEMBL25852878 0.83 RARB (0.43) RAB9AKDM4EMAPTNPC1CYP1A2
SCHEMBL11023007 0.82 TP53 (0.70) RAB9ATP53MAPK1KDM4EHTR7
SCHEMBL11018953 0.82 HTR7 (0.38) RAB9ATP53MAPK1LTB4RKDM4E

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-20200239781-A1 Solid Foam Comprising Mesogenic Ligand-Functionalized Nanoparticles and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 US disclosed