SCHEMBL27458451

SCHEMBL27458451

O=C(C1=CCC(Cl)(CO)C=C1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRD5A2 P31213 1/20 0.33
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.33
HPGDS O60760 1/20 0.33
GSK3B P49841 2/20 0.33
MAPK1 P28482 2/20 0.33
TRPA1 O75762 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
GSK3A P49840 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL27454520 0.88 ALDH1A1 (0.37) ALDH1A1HPGDTDP1ATML3MBTL1
SCHEMBL8899436 0.88 ALDH1A1 (0.37) ALDH1A1HPGDTDP1ATML3MBTL1
SCHEMBL1952089 0.86 ALDH1A1 (0.35) ALDH1A1HPGDTDP1ATML3MBTL1
SCHEMBL27437816 0.85 ALDH1A1 (0.34) ALDH1A1HPGDTDP1ATML3MBTL1
SCHEMBL27475352 0.83 ALDH1A1 (0.33) ALDH1A1HPGDTDP1ATML3MBTL1
SCHEMBL27628328 0.83 NPC1 (0.38) ALDH1A1HPGDTDP1L3MBTL1MAPK1
SCHEMBL156513 0.81 ALDH1A1 (0.42) ALDH1A1HPGDTDP1ATML3MBTL1
SCHEMBL8900307 0.81 HPGD (0.35) ALDH1A1HPGDKMT2ALMNARAB9A
SCHEMBL27456759 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4035522 0.80 ALDH1A1 (0.41) ALDH1A1HPGDTDP1ATML3MBTL1

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
CN-1124259-C Benzylsulfide derivative, process for its production and pesticide KUMIAI CHEMICAL INDUSTRY CO (JP) 2003-10-15 CN disclosed
CN-1150797-A Benzylsulfide derivative, process for its production and pesticide KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-05-28 CN disclosed