SCHEMBL11713104

SCHEMBL11713104

CCCCCCCCCCCCCCOc1ccsc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMPD1 P17405 4/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR5A1 Q13285 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11713106 1.00 MEN1 (0.41) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL27792891 1.00 MEN1 (0.41) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1871186 1.00 MEN1 (0.41) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL28511142 0.84 MEN1 (0.38) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL20505646 0.81 KMT2A (0.49) MEN1LMNAMAPTKMT2AL3MBTL1
SCHEMBL3283090 0.78 IDO1 (0.39) MEN1MAPTKMT2AGAATDP1
SCHEMBL29018563 0.78 ALDH1A1 (0.36) ALDH1A1HPGD
SCHEMBL1279017 0.78 NR5A1 (0.43) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL3103832 0.78 NR5A1 (0.43) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5133914 0.78 NR5A1 (0.43) MEN1NR1I2LMNACHRM2CYP3A4

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-4011334-A USE OF SUBSTITUTED FURAN AND THIOPHENE CARBOXALDEHYDES AS HYPOLIPIDEMIC AGENTS RICHARDSON-MERRELL INC. (US) 1977-03-08 US disclosed