SCHEMBL7773053

SCHEMBL7773053

Cc1ccc(C(C)NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ ACHE P22303 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 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
SCHEMBL14305054 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CHRNA7ACHETDP1ALOX5
SCHEMBL5955203 0.80 ESR1 (0.56) SMN1; SMN2TDP1MEN1KMT2AKDM4E
SCHEMBL6168684 0.78 HTT (0.50) MEN1KMT2AKDM4EHDAC1HDAC6
SCHEMBL178538 0.77 ALDH1A1 (0.52) SMN1; SMN2CHRNA7ACHETDP1ALOX5
SCHEMBL3984108 0.77 TDP1 (0.48) SMN1; SMN2TDP1MEN1KMT2ANPSR1
SCHEMBL8285887 0.77 ALDH1A1 (0.52) SMN1; SMN2CHRNA7ACHETDP1ALOX5
SCHEMBL19286213 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CHRNA7ACHETDP1ALOX5
SCHEMBL3044206 0.77 TDP1 (0.48) SMN1; SMN2TDP1MEN1KMT2ANPSR1
SCHEMBL3984623 0.77 TDP1 (0.48) SMN1; SMN2TDP1MEN1KMT2ANPSR1
SCHEMBL8284259 0.77 ALDH1A1 (0.52) SMN1; SMN2CHRNA7ACHETDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824518-B1 (HET)ARYLOXY-, -THIO-, AMINOCROTONATES, METHODS OF PREPARING THEM AND THEIR USE AS INSECTICIDES AND FUNGICIDES BASF AG (DE) 2001-06-27 — — EP disclosed
US-5985919-A INSECTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-16 — — US disclosed
EP-0824518-A1 (HET)ARYLOXY-, -THIO-, AMINOCROTONATES, METHODS OF PREPARING THEM AND THEIR USE AS INSECTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-25 — — EP disclosed
WO-1996035669-A1 (HET)ARYLOXY-, -THIO-, AMINOCROTONATES, METHODS OF PREPARING THEM AND THEIR USE AS INSECTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-14 — — WO disclosed
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