SCHEMBL2589550

SCHEMBL2589550

CCOc1cccc(-c2cc(F)cc(Cl)c2NC(=O)c2ccccc2C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.47
PPARG P37231 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS2 P35354 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
FADS1 O60427 1/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL1335725 0.85 DHODH (0.60) DHODHPPARGMEN1KMT2AALDH1A1
SCHEMBL1337798 0.82 DHODH (0.68) DHODH
SCHEMBL1337629 0.77 DHODH (0.60) DHODHPPARGMEN1KMT2AALDH1A1
SCHEMBL1335669 0.77 DHODH (0.69) DHODHPPARGPTPN1RXRARXRB
SCHEMBL1335524 0.73 DHODH (0.59) DHODHPPARGMEN1KMT2AALDH1A1
SCHEMBL2595923 0.73 DHODH (0.52) DHODH
SCHEMBL1336975 0.72 DHODH (0.79) DHODHRXRARXRB
SCHEMBL1336374 0.71 DHODH (0.64) DHODHPPARGMEN1KMT2APTPN1
SCHEMBL1336938 0.71 DHODH (0.59) DHODHMEN1KMT2AALDH1A1LMNA
SCHEMBL1337467 0.71 DHODH (0.69) DHODHPPARGRXRARXRB

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-2566847-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS Icozen Therapeutics Pvt. Ltd. (IN) 2013-03-13 EP disclosed
WO-2011138665-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-10 WO disclosed