SCHEMBL11760331

SCHEMBL11760331

COC(=O)C(C)N(C(=O)CCl)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
THRB P10828 1/20 0.38
NR1I2 O75469 1/20 0.36
NLRP3 Q96P20 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL11759370 0.92 RORC (0.56) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11757920 0.87 RORC (0.45) RORCALDH1A1LMNAHTTKMT2A
SCHEMBL11758621 0.87 RORC (0.45) RORCALDH1A1LMNAHTTKMT2A
SCHEMBL30601164 0.87 KMT2A (0.58) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL395886 0.87 KMT2A (0.58) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL395887 0.87 KMT2A (0.58) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11764096 0.84 MEN1 (0.41) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11758050 0.84 LMNA (0.42) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11758286 0.81 MEN1 (0.45) RORCALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11258075 0.80 TP53 (0.55) RORCALDH1A1TP53LMNASMN1; SMN2

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
US-4032657-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1977-06-28 US claimed
US-4032657-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1977-06-28 US disclosed