SCHEMBL11273014

SCHEMBL11273014

CC(C)C(C(=O)O)(C(C)C=C(Cl)Cl)C(C#N)c1cc(Oc2ccccc2)nc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGLN2 Q96KS0 10/20 0.32
EGLN1 Q9GZT9 6/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
RHOA P61586 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LTB4R Q15722 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31

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
SCHEMBL11276788 0.85 SMN1; SMN2 (0.34) PLA2G10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11304139 0.84 ALDH1A1 (0.35) PLA2G10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11275309 0.84 BRAF (0.33) ALDH1A1KDM4EHPGDLMNAEGLN2
SCHEMBL11272213 0.80 ALDH1A1 (0.33) ALDH1A1LMNAEGLN2EGLN1MEN1
SCHEMBL11301973 0.78 TDP1 (0.46) ALDH1A1HPGDLMNAL3MBTL1MEN1
SCHEMBL11273016 0.74 ALDH1A1 (0.36) PLA2G10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11307347 0.73 ALDH1A1 (0.32) PLA2G10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11269103 0.72 PLA2G10 (0.39) PLA2G10ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11302131 0.71 PTGS1 (0.44) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL11302718 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATDP1

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed