SCHEMBL8121102

SCHEMBL8121102

COCc1cc(OCCC=O)no1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 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
SCHEMBL12489570 0.71 DAO (0.33)
SCHEMBL18914637 0.71 CHRM1 (0.36) HRH3
SCHEMBL24346840 0.70 DAO (0.35)
SCHEMBL21876955 0.69 SMPD1 (0.38) HRH3
SCHEMBL7311003 0.67 MRGPRX4 (0.38)
SCHEMBL19287122 0.66 KDM4E (0.45)
SCHEMBL17122452 0.66 SMPD1 (0.43) HRH3
SCHEMBL26132404 0.66 DAO (0.32)
SCHEMBL13762097 0.66 MEN1 (0.37)
SCHEMBL9393479 0.65

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed