SCHEMBL7221545

SCHEMBL7221545

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
UGCG Q16739 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 1/20 0.44
GID4 Q8IVV7 2/20 0.44
DHODH Q02127 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.40
FFAR1 O14842 1/20 0.40
PKM P14618 1/20 0.40
DRD1 P21728 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
SCHEMBL7223351 0.86 TAS1R3 (0.44) ALDH1A1UGCGKMT2AMEN1HTT
SCHEMBL7223321 0.82 UGCG (0.44) ALDH1A1UGCGKMT2AMEN1HTT
SCHEMBL7223880 0.82 UGCG (0.43) ALDH1A1UGCGKMT2AMEN1HTT
Hydrochloric Acid SCHEMBL7223565 0.82 UGCG (0.43) ALDH1A1UGCGKMT2AMEN1HTT
SCHEMBL16902820 0.81 ESR1 (0.48)
SCHEMBL7220749 0.81 PKM (0.46) ALDH1A1UGCGKMT2AMEN1HTT
SCHEMBL7223322 0.80 PSMB1 (0.52) ALDH1A1UGCGKMT2AMEN1
Hydrochloric Acid SCHEMBL7223567 0.79 PSMB1 (0.51) ALDH1A1UGCGKMT2AMEN1
SCHEMBL7223883 0.79 PSMB1 (0.54) ALDH1A1UGCGKMT2AMEN1MAPT
SCHEMBL7220715 0.77 KDM4E (0.48) ALDH1A1UGCGKMT2AMEN1HTT

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 disclosed