SCHEMBL10900628

SCHEMBL10900628

N#CCC(=O)OCCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PARP10 Q53GL7 1/20 0.49
ALOX15 P16050 1/20 0.48
MMP1 P03956 1/20 0.47
MMP12 P39900 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL11523607 0.92 KCNA3 (0.48) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11526561 0.83 L3MBTL1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11523809 0.83 CYP1A2 (0.52) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL3321151 0.83 TDP1 (0.58) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL28425775 0.82 RAB9A (0.64) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11525182 0.80 LMNA (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11522662 0.80 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL16134247 0.80 RAB9A (0.66) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7576079 0.80 THRB (0.62) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11584476 0.79 TDP1 (0.49) SMN1; SMN2TSHRALDH1A1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024203772-A1 METHOD FOR PRODUCING ALPHA-CYANOACRYLATE 東亞合成株式会社 2024-10-03 WO disclosed
US-4622332-A Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4105665-A MONOMETHINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4018796-A FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed