SCHEMBL24439441

SCHEMBL24439441

C=C(C)C(=O)OCCOC(=O)Nc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL10015772 0.94 PKM (0.51) PKMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13872034 0.87 TSHR (0.48) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL28084802 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL1087332 0.86 NPC1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL25784599 0.86 LMNA (0.45) PKMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14085634 0.85 BCHE (0.52) PKMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23463469 0.85 RAB9A (0.48) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
P-Xylene SCHEMBL11360520 0.85 THRB (0.57) SMN1; SMN2ALDH1A1LMNATDP1POLB
SCHEMBL25993943 0.85 L3MBTL1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL24121107 0.84 PKM (0.44) PKMSMN1; SMN2NPC1RAB9AALDH1A1

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-2022104113-A1 SUBSTITUTED MONO- AND POLY-PHENYL-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2022-05-19 WO disclosed
WO-2022104137-A1 SUBSTITUTED PROPANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2022-05-19 WO disclosed