SCHEMBL30284444

SCHEMBL30284444

COc1ccc(Br)cc1C=CC1=CC(=O)C2CC1C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
LMNA P02545 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
ATM Q13315 2/20 0.37
MITF O75030 1/20 0.37
PAX8 Q06710 1/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35

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
SCHEMBL16612697 1.00 TNFRSF1A (0.40) TNFRSF1AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL16612696 1.00 TNFRSF1A (0.40) TNFRSF1AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL16612829 1.00 TNFRSF1A (0.40) TNFRSF1AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL16612833 0.87 CYP1A1 (0.48) MAPTMEN1KMT2ACYP1A2
SCHEMBL16612834 0.87 CYP1A1 (0.48) MAPTMEN1KMT2ACYP1A2
SCHEMBL16612832 0.87 CYP1A1 (0.48) MAPTMEN1KMT2ACYP1A2
SCHEMBL38655897 0.83 CYP3A4 (0.44) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL38656901 0.80 CYP19A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL16612494 0.80 CYP19A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL16612492 0.80 CYP19A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A

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