SCHEMBL7223904

SCHEMBL7223904

COc1ccc(C(c2ccc(OCCN3CCCCC3)c(C)c2)C2CCCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
UGCG Q16739 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR2C P28335 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
LTA4H P09960 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL7229707 0.99 SMN1; SMN2 (0.44) SMN1; SMN2HTTTDP1UGCGKDM4E
Hydrochloric Acid SCHEMBL7228991 0.98 SMN1; SMN2 (0.44) SMN1; SMN2HTTTDP1UGCGKDM4E
SCHEMBL7223883 0.89 PSMB1 (0.54) UGCGPSMB1PSMB5LTA4HHRH3
SCHEMBL7223322 0.88 PSMB1 (0.52) UGCGPSMB1PSMB5LTA4HHRH3
Hydrochloric Acid SCHEMBL7223567 0.87 PSMB1 (0.51) TDP1UGCGPSMB1PSMB5LTA4H
SCHEMBL7223901 0.83 UGCG (0.39) HTTUGCGDRD2DRD4SIGMAR1
SCHEMBL7229703 0.82 UGCG (0.39) HTTUGCGDRD2DRD4SIGMAR1
Hydrochloric Acid SCHEMBL7228986 0.81 UGCG (0.39) HTTUGCGDRD2DRD4SIGMAR1
SCHEMBL7223351 0.78 TAS1R3 (0.44) HTTUGCG
SCHEMBL7222878 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HTTTDP1KDM4EPSMB1

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
US-6610705-B1 Treating breast cancer, osteoporosis, hypercholesteremia or endometriosis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-26 US claimed
US-6610705-B1 Treating breast cancer, osteoporosis, hypercholesteremia or endometriosis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-26 US disclosed