SCHEMBL30284489

SCHEMBL30284489

CC1(C)C2CC1C(/C=C/c1cccnc1)=CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 6/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.42
MITF O75030 2/20 0.42
NSD2 O96028 1/20 0.42
ATM Q13315 1/20 0.42
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALOX5 P09917 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL16612498 1.00 CYP11B1 (0.43) CYP11B1CYP11B2MAPTRAB9ALMNA
SCHEMBL16612495 1.00 CYP11B1 (0.43) CYP11B1CYP11B2MAPTRAB9ALMNA
SCHEMBL30284437 0.84 MAPT (0.37) MAPTRAB9ALMNANPC1HTT
SCHEMBL16612614 0.84 MAPT (0.37) MAPTRAB9ALMNANPC1HTT
SCHEMBL16612615 0.84 MAPT (0.37) MAPTRAB9ALMNANPC1HTT
SCHEMBL23931226 0.84 CYP2C19 (0.39) MAPTRAB9ALMNACREBBPSMN1; SMN2
SCHEMBL6544986 0.84 CYP2C19 (0.39) MAPTRAB9ALMNACREBBPSMN1; SMN2
SCHEMBL23931228 0.84 CYP2C19 (0.39) MAPTRAB9ALMNACREBBPSMN1; SMN2
SCHEMBL16612646 0.84 CYP2C19 (0.39) MAPTRAB9ALMNACREBBPSMN1; SMN2
SCHEMBL16612648 0.84 CYP2C19 (0.39) MAPTRAB9ALMNACREBBPSMN1; SMN2

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
WO-2023033517-A1 COMPOSITION FOR TREATING OR PREVENTING OBESITY OR OBESITY-ASSOCIATED LIVER DISEASE, COMPRISING VERBENONE DERIVATIVES 신풍제약주식회사 2023-03-09 WO claimed
WO-2023033517-A1 COMPOSITION FOR TREATING OR PREVENTING OBESITY OR OBESITY-ASSOCIATED LIVER DISEASE, COMPRISING VERBENONE DERIVATIVES 신풍제약주식회사 2023-03-09 WO disclosed