SCHEMBL7223880

SCHEMBL7223880

COc1ccc(C(c2ccc(OC(C)N3CCCCC3)cc2)C2CCCc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 1/20 0.43
GID4 Q8IVV7 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD1 P21728 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7223321 0.99 UGCG (0.44) UGCGGID4ALDH1A1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7223565 0.98 UGCG (0.43) UGCGGID4ALDH1A1CHRM2CHRM1
SCHEMBL7223901 0.88 UGCG (0.39) UGCGGID4ALDH1A1KMT2AMEN1
SCHEMBL7229703 0.87 UGCG (0.39) UGCGGID4ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7228986 0.86 UGCG (0.39) UGCGGID4ALDH1A1KMT2AMEN1
SCHEMBL7221545 0.82 ALDH1A1 (0.46) UGCGGID4ALDH1A1KMT2AMEN1
SCHEMBL7223883 0.80 PSMB1 (0.54) UGCGALDH1A1KMT2AMEN1
SCHEMBL7223322 0.79 PSMB1 (0.52) UGCGALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7223567 0.78 PSMB1 (0.51) UGCGALDH1A1KMT2AMEN1
SCHEMBL7220749 0.77 PKM (0.46) UGCGGID4ALDH1A1KMT2AMEN1

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