SCHEMBL9544537

SCHEMBL9544537

CCOC(=O)C(CCc1ccc(OC)cc1)(Oc1ccccc1OCc1ccccc1)C(=O)OCC.CCOC(=O)C(Cc1ccc(OC)cc1)(Oc1ccc(Cl)cc1OCc1ccccc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
APP P05067 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.40
MTNR1A P48039 4/20 0.40
PTGER1 P34995 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL7861313 0.93 KDM4E (0.45) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7860005 0.89 ABCB1 (0.51) ABCB1APPMTNR1AMEN1KMT2A
Butane SCHEMBL9544535 0.88 ABCB1 (0.42) SLC6A4HTR2CHTR2BABCB1KDM4E
SCHEMBL7861112 0.80 ATM (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19APP
SCHEMBL7861235 0.80 ALDH1A1 (0.48) KDM4EALDH1A1LMNAPTPN1MRGPRX4
SCHEMBL7860078 0.74 ALDH1A1 (0.47) ABCB1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7854387 0.72 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMRGPRX4
SCHEMBL6713228 0.71 PPARG (0.53) ALDH1A1LMNA
SCHEMBL6713441 0.69 RXRA (0.53) KDM4EALDH1A1LMNAMRGPRX4
SCHEMBL9206341 0.68 KMT2A (0.48) KDM4EALDH1A1CYP1A2CYP2C19LMNA

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
WO-1993016051-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed