SCHEMBL21534572

SCHEMBL21534572

C=Cc1ccc(OC(=O)C(C)Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL7079093 0.86 ELANE (0.59) ELANETAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL10204666 0.86 ELANE (0.46) ELANETAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL3686069 0.85 ELANE (0.55) ELANEALDH1A1KMT2ALMNAMEN1
SCHEMBL11810240 0.83 ELANE (0.43) ELANETAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL18892952 0.83 ELANE (0.43) ELANETAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL12624377 0.80 TAS1R3 (0.42) ELANETAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL410299 0.77 KMT2A (0.44) TAS1R3TAS1R1ALDH1A1KMT2ALMNA
SCHEMBL6550801 0.76 MMP2 (0.43) ELANETAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL72231 0.76 MAPT (0.59) ELANEALDH1A1KMT2ALMNAKDM4E
SCHEMBL662703 0.76 ELANE (0.53) ELANEALDH1A1KMT2ALMNAMEN1

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-10465087-B2 Methods of making crosslinked copolymer films from inimer-containing random copolymers WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-11-05 US disclosed