SCHEMBL7255377

SCHEMBL7255377

O=Cc1ccc(OCc2ccc(OC(F)(F)F)cc2)c(OCCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
AKR1C3 P42330 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL5217929 0.93 TACR2 (0.52) TACR2MAOAMAOBRXRARXRB
SCHEMBL9077155 0.87 TACR2 (0.54) TACR2MAOAMAOBAKR1C3ALDH1A1
SCHEMBL5213944 0.87 TACR2 (0.54) TACR2MAOAMAOBAKR1C3ALDH1A1
SCHEMBL29721221 0.87 TACR2 (0.54) TACR2MAOAMAOBAKR1C3ALDH1A1
SCHEMBL5218024 0.86 AKR1C3 (0.56) TACR2MAOAMAOBAKR1C3ALDH1A1
SCHEMBL7255344 0.86 ALDH1A1 (0.48) TACR2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL3954569 0.84 RXRA (0.52) TACR2MAOAMAOBRXRARXRB
SCHEMBL7255559 0.83 C5AR1 (0.46) RXRARXRBRXRGMRGPRX4
SCHEMBL5219137 0.83 TACR2 (0.67) TACR2MAOAMAOBAKR1C3ALDH1A1
SCHEMBL4576841 0.82 FDPS (0.57) TACR2MAOAMAOBAKR1C3ALDH1A1

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
WO-2003070238-A1 THIAZOLIDINE ANTIFUNGAL AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO claimed
WO-2003070238-A1 THIAZOLIDINE ANTIFUNGAL AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO disclosed