SCHEMBL4276837

SCHEMBL4276837

CC(=O)OOc1ccc(F)c(CCCOS(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4272639 0.82 CA2 (0.40) FDFT1CYP4F2CYP4A11CHRM2CHRM1
SCHEMBL4281884 0.81 CHRM2 (0.36) FDFT1CYP4F2CYP4A11CHRM2CHRM1
SCHEMBL3164823 0.81 TSHR (0.45) CYP4F2CYP4A11ALDH1A1LMNAALOX15
SCHEMBL4268425 0.80 TDP1 (0.42) FDFT1CYP4F2CYP4A11
SCHEMBL3159465 0.80 TDP1 (0.42) FDFT1CYP4F2CYP4A11
SCHEMBL4563178 0.80 FFAR4 (0.50) CYP4F2CYP4A11
SCHEMBL4278418 0.78 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL3165696 0.76 BRD4 (0.46) CYP4F2CYP4A11
SCHEMBL4266854 0.74 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4272576 0.74 MTNR1A (0.41) KDM4EUSP2ALDH1A1LMNAMMP9

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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed