SCHEMBL3431607

SCHEMBL3431607

Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PGR P06401 4/20 0.40
MLYCD O95822 4/20 0.40
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AR P10275 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNJ11 Q14654 3/20 0.37
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
APP P05067 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
SCHEMBL3420100 0.85 HSD11B1 (0.40) ALDH1A1TSHRHSD17B10KCNJ11HPGD
SCHEMBL11623628 0.82 SMN1; SMN2 (0.41) SMN1; SMN2PGRMLYCDALDH1A1TSHR
SCHEMBL11266609 0.80 MLYCD (0.40) SMN1; SMN2PGRMLYCDALDH1A1AR
SCHEMBL11624158 0.79 MEN1 (0.49) SMN1; SMN2PGRMLYCDARTSHR
SCHEMBL3420846 0.78 NR1H2 (0.43) MEN1KMT2AKCNJ11NR1H2RAB9A
SCHEMBL11267064 0.77 KMT2A (0.43) SMN1; SMN2PGRMLYCDALDH1A1TSHR
SCHEMBL15957693 0.77 CYP3A4 (0.42) SMN1; SMN2PGRMLYCDALDH1A1AR
SCHEMBL2103913 0.75 KCNK3 (0.57) MEN1KMT2AKCNJ11HPGDRAB9A
SCHEMBL11410851 0.75 RORA (0.40) SMN1; SMN2PGRRORCARTSHR
SCHEMBL11261894 0.75 PGR (0.38) SMN1; SMN2PGRMLYCDRORCAR

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
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed