SCHEMBL5296276

SCHEMBL5296276

COc1ccccc1-c1ccc(CCC(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.55
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PPARD Q03181 1/20 0.53
RXRA P19793 1/20 0.49
LMNA P02545 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
FFAR4 Q5NUL3 3/20 0.48
MDM2 Q00987 2/20 0.47
MME P08473 1/20 0.46
MMEL1 Q495T6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FAAH O00519 1/20 0.46
ECE1 P42892 1/20 0.46

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
SCHEMBL30873954 0.83 FFAR1 (0.58) FFAR1RXRAP4HTMFFAR4
SCHEMBL3164361 0.81 CYP11B1 (0.52) FFAR1CYP11B1CYP11B2P4HTMFFAR4
SCHEMBL3677264 0.80 FFAR1 (0.66) FFAR1PPARDRXRAFFAR4MME
SCHEMBL6490922 0.79 FFAR1 (0.58) FFAR1PPARDRXRALMNATP53
SCHEMBL7962602 0.79 P4HTM (0.68) FFAR1LMNAP4HTMTP53FFAR4
SCHEMBL5300831 0.78 HCAR2 (0.48) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL5293614 0.78 RAB9A (0.54) CYP11B1CYP11B2KDM4EHPGDTDP1
SCHEMBL5298125 0.78 FFAR1 (0.61) FFAR1CYP11B1CYP11B2P4HTMTP53
SCHEMBL5303734 0.78 MAPK8 (0.44) CYP11B1CYP11B2LMNAHPGD
SCHEMBL22445719 0.77 LDHA (0.57) CYP11B1CYP11B2PPARDRXRAP4HTM

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-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed