SCHEMBL7223883

SCHEMBL7223883

COc1ccc(C(c2ccc(OCCN3CCCCC3)cc2)C2CCCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.54
PSMB5 P28074 1/20 0.54
LTA4H P09960 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
UGCG Q16739 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL7223322 0.99 PSMB1 (0.52) PSMB1PSMB5LTA4HALDH1A1HRH3
Hydrochloric Acid SCHEMBL7223567 0.98 PSMB1 (0.51) PSMB1PSMB5LTA4HALDH1A1HRH3
SCHEMBL7223904 0.89 SMN1; SMN2 (0.46) PSMB1PSMB5LTA4HHRH3UGCG
SCHEMBL7229707 0.88 SMN1; SMN2 (0.44) PSMB1PSMB5LTA4HUGCG
Hydrochloric Acid SCHEMBL7228991 0.87 SMN1; SMN2 (0.44) PSMB1PSMB5LTA4HUGCG
SCHEMBL7223880 0.80 UGCG (0.43) ALDH1A1UGCGMEN1KMT2A
SCHEMBL7220749 0.79 PKM (0.46) ALDH1A1UGCGMEN1KMT2AMAPT
SCHEMBL7221545 0.79 ALDH1A1 (0.46) ALDH1A1UGCGMEN1KMT2AMAPT
SCHEMBL7223321 0.79 UGCG (0.44) ALDH1A1UGCGMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7223565 0.78 UGCG (0.43) ALDH1A1UGCGMEN1KMT2A

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