SCHEMBL11834848

SCHEMBL11834848

O=C(O)C(F)Cc1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.41
PTGDR Q13258 4/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
NSD2 O96028 1/20 0.40
NSD1 Q96L73 1/20 0.40
NSD3 Q9BZ95 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
HPSE Q9Y251 1/20 0.40
PTGER2 P43116 1/20 0.40
FFAR1 O14842 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
STING1 Q86WV6 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL11834367 0.85 THRB (0.45) THRBPTGDR2PTGDRBCL2L1MCL1
SCHEMBL11835864 0.84 PTGDR2 (0.40) THRBPTGDR2PTGDRBCL2L1MCL1
SCHEMBL11828906 0.84 THRB (0.41) THRBPTGDR2PTGDRBCL2L1MCL1
SCHEMBL11827805 0.84 THRB (0.41) THRBPTGDR2PTGDRBCL2L1MCL1
SCHEMBL11828739 0.84 NSD2 (0.39) THRBPTGDR2PTGDRNSD2NSD1
SCHEMBL11836612 0.82 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL11837327 0.82 S1PR1 (0.43) PTGDR2PTGDRBCL2L1MCL1S1PR1
SCHEMBL11831779 0.81 THRB (0.46) THRBPTGDR2PTGDRBCL2L1MCL1
SCHEMBL11844523 0.80 SLC9A1 (0.36) PTGDR2PTGDRFFAR1
SCHEMBL11833519 0.80 SLC18A3 (0.41) PTGDR2

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
US-3985788-A Phenyl propionic acids and derivatives thereof WILLIAM H. RORER, INC. (US) 1976-10-12 US disclosed