SCHEMBL7223901

SCHEMBL7223901

COc1ccc(C(c2ccc(OC(C)N3CCCCC3)c(C)c2)C2CCCc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 1/20 0.39
GID4 Q8IVV7 1/20 0.37
KMT2A Q03164 2/20 0.37
DRD1 P21728 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7229703 0.99 UGCG (0.39) UGCGGID4KMT2ADRD1ALDH1A1
Hydrochloric Acid SCHEMBL7228986 0.98 UGCG (0.39) UGCGGID4KMT2ADRD1ALDH1A1
SCHEMBL7223880 0.88 UGCG (0.43) UGCGGID4KMT2ADRD1ALDH1A1
SCHEMBL7223321 0.87 UGCG (0.44) UGCGGID4KMT2ADRD1ALDH1A1
Hydrochloric Acid SCHEMBL7223565 0.86 UGCG (0.43) UGCGGID4KMT2ADRD1ALDH1A1
SCHEMBL7223904 0.83 SMN1; SMN2 (0.46) UGCGHTTSIGMAR1DRD2DRD4
SCHEMBL7229707 0.82 SMN1; SMN2 (0.44) UGCGHTTSIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL7228991 0.81 SMN1; SMN2 (0.44) UGCGHTTSIGMAR1DRD2DRD4
SCHEMBL7223351 0.80 TAS1R3 (0.44) UGCGGID4KMT2ADRD1ALDH1A1
SCHEMBL7222876 0.76 PKM (0.36) KMT2AALDH1A1ATMP2RX7MEN1

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