SCHEMBL7255672

SCHEMBL7255672

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
AOX1 Q06278 1/20 0.46
TACR2 P21452 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
SLC6A4 P31645 1/20 0.43
GCGR P47871 3/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RHEB Q15382 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
AR P10275 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
SCHEMBL16838747 0.85 PPARD (0.49) ALDH1A1TACR2SLC6A4MAOAMAOB
SCHEMBL5217929 0.84 TACR2 (0.52) ALDH1A1TACR2SLC6A4MAOAMAOB
SCHEMBL6688720 0.84 ALDH1A1 (0.58) ALDH1A1TACR2RAB9ANPC1TDP1
SCHEMBL2459308 0.83 ALDH1A1 (0.60) ALDH1A1AOX1TACR2RAB9ANPC1
SCHEMBL13581064 0.81 RAB9A (0.55) ALDH1A1MAOAMAOBMRGPRX4RAB9A
SCHEMBL14682676 0.80 MAOA (0.57) ALDH1A1AOX1TACR2MAOAMAOB
SCHEMBL1180820 0.79 MAOA (0.56) ALDH1A1AOX1TACR2MAOAMAOB
SCHEMBL24445666 0.79 ALDH1A1 (0.61) ALDH1A1AOX1RAB9ATDP1
SCHEMBL6208606 0.78 MRGPRX4 (0.50) MAOBMRGPRX4RXRARXRBRXRG
SCHEMBL7255377 0.78 TACR2 (0.46) ALDH1A1TACR2MAOAMAOBMRGPRX4

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