SCHEMBL25329574

SCHEMBL25329574

COC(=O)CCC/C=C\CC1C(O)CC(O)C1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 14/20 0.86
ABCC4 O15439 2/20 0.86
ABCB11 O95342 1/20 0.86
PTGER3 P43115 4/20 0.84
TBXA2R P21731 4/20 0.65
PTGER1 P34995 2/20 0.65
THRB P10828 1/20 0.65
PTGER2 P43116 1/20 0.65
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57

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
SCHEMBL16037395 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL16037838 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL16037400 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL16037841 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL13260245 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL16037401 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL18558637 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL16037398 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL16037840 1.00 PTGFR (0.86) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL19420746 0.94 PTGFR (0.76) PTGFRABCC4ABCB11PTGER3TBXA2R

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
EP-4218759-A2 COMBINATION THERAPY Aerie Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed