SCHEMBL8347706

SCHEMBL8347706

Cc1ccc(OCC(C(=O)Cl)c2ccccc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SCN4A P35499 3/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8200026 0.89 TSHR (0.50) L3MBTL1ALDH1A1SCN4ATDP1KMT2A
SCHEMBL8193683 0.78 TSHR (0.52) L3MBTL1ALDH1A1SCN4ATDP1KMT2A
SCHEMBL27293479 0.77 L3MBTL1 (0.46) L3MBTL1ALDH1A1SCN4AMRGPRX4TDP1
SCHEMBL21325170 0.76 SCN4A (0.74) L3MBTL1ALDH1A1SCN4A
SCHEMBL819824 0.73 GLS (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8197498 0.72 TSHR (0.46) SCN4ATDP1KMT2AMEN1SMN1; SMN2
SCHEMBL7543571 0.72 TSHR (0.46) TDP1KMT2AKDM4EGAAMEN1
SCHEMBL5742045 0.71 MEN1 (0.57) MRGPRX4TDP1KMT2AKDM4EGAA
SCHEMBL11121575 0.71 KMT2A (0.61) KMT2AKDM4EMEN1SMN1; SMN2LMNA
SCHEMBL8649258 0.70 SCN4A (0.55) SCN4ATDP1KMT2AKDM4ESMN1; SMN2

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-5883250-A ARYL SUBSTITUTED COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
US-5679676-A Substituted azadioxacycloalkenes and their use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed