SCHEMBL11797482

SCHEMBL11797482

O=C(CCCN1CCOCC1)c1ccc2c(c1)Cc1cc(C(=O)CCCN3CCOCC3)ccc1O2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
TP53 P04637 2/20 0.71
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
MAPT P10636 8/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 2/20 0.60
ALDH3A1 P30838 1/20 0.60
KMT2A Q03164 5/20 0.51
LMNA P02545 3/20 0.50
MPI P34949 1/20 0.50
KDM4E B2RXH2 1/20 0.48
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL11794977 0.90 L3MBTL1 (0.59) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11795205 0.88 TSHR (0.60) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11729199 0.88 L3MBTL1 (0.61) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11678069 0.87 ALDH1A1 (0.67) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11801917 0.85 ALDH1A1 (0.55) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11751985 0.85 KDM4E (0.67) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11807793 0.84 TSHR (0.55) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11797618 0.84 KMT2A (0.62) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11859502 0.84 ALDH1A1 (0.62) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11678838 0.83 L3MBTL1 (0.68) ALDH1A1TP53NPC1RAB9ASMN1; 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-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 US disclosed