SCHEMBL8971870

SCHEMBL8971870

C=CC(CCO)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8971307 0.87 TSHR (0.42) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971396 0.86 TSHR (0.41) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8854362 0.82 MEN1 (0.44) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8972385 0.82 HTT (0.44) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971748 0.80 TSHR (0.46) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8972074 0.80 MEN1 (0.44) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971337 0.77 ALDH1A1 (0.46) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8854355 0.76 ALDH1A1 (0.55) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL8972019 0.75 ALDH1A1 (0.48) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971581 0.75 MEN1 (0.44) TSHRHTTUSP2HSD17B10MEN1

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-5521260-A ALKENYLNADIMIDE, VINYL COMPOUND, PHENOLIC RESIN MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-05-28 US disclosed
US-4778898-A CROSSLINKED, HEAT RESISTANT POLYMERS; ADHESIVES, INSULATION, PLASTICS CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed