SCHEMBL9753175

SCHEMBL9753175

N#CC(O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 4/20 0.57
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
HPGD P15428 3/20 0.57
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
CYP3A4 P08684 2/20 0.57
RECQL P46063 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
PMP22 Q01453 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CXCL8 P10145 1/20 0.57
THPO P40225 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL11485077 0.88 SMN1; SMN2 (0.58) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10548829 0.84 TSHR (0.64) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10828243 0.83 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
SCHEMBL19716459 0.82 TRPA1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
SCHEMBL687542 0.82 MAPT (0.64) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
SCHEMBL2861854 0.80 MAPT (0.66) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
Benzoic Acid SCHEMBL16058242 0.80 TSHR (0.76) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL10985532 0.80 TSHR (0.58) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL15264145 0.79 MAPT (0.64) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
SCHEMBL11214016 0.78 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1

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
WO-1991007380-A1 ARTHROPODICIDES DUNLENA PTY. LTD. (AU) 1991-05-30 WO disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
US-4622337-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-11 US disclosed
US-4464391-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-08-07 US disclosed