SCHEMBL20204431

SCHEMBL20204431

C=C(C)C(=O)Nc1ccc(OC(=O)NC(C)CCOC(C)(C)CC(CC(C)(C)OCCCC)(CC(C)(C)OCCC(C)(C)NC(=O)Oc2ccc(NC(=O)C(=C)C)cc2)CC(C)(C)OCCC(C)(C)NC(=O)Oc2ccc(NC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.37
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL20808498 0.96 RXFP1 (0.35) FAAHRXFP1MEN1KMT2AALDH1A1
SCHEMBL21656701 0.94 RXFP1 (0.33) FAAHRXFP1MEN1KMT2AALDH1A1
SCHEMBL21656992 0.88 RXFP1 (0.33) FAAHRXFP1MEN1KMT2AALDH1A1
SCHEMBL21561127 0.87 FAAH (0.40) FAAHRXFP1HPGDRAB9ASMN1; SMN2
SCHEMBL21561029 0.87 RXFP1 (0.37) FAAHRXFP1HPGDRAB9ASMN1; SMN2
SCHEMBL24489733 0.85 FAAH (0.31) FAAHRXFP1
SCHEMBL24489623 0.85 FAAH (0.36) FAAHRXFP1HPGDRAB9ASMN1; SMN2
SCHEMBL20808479 0.84 RXFP1 (0.35) FAAHRXFP1HPGDRAB9ASMN1; SMN2
SCHEMBL21948654 0.83 FAAH (0.35) FAAHRXFP1HPGDRAB9ASMN1; SMN2
SCHEMBL21023276 0.82 RXFP1 (0.36) FAAHRXFP1HPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147317-A1 PARTICLES MICROVENTION, INC. 2018-05-31 US disclosed