SCHEMBL10367993

SCHEMBL10367993

C=C(CCC=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9664124 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL9664110 0.76 MAPK1 (0.44) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL10597283 0.75 MAOA (0.47) ALDH1A1MAPK1TSHRMAPTKDM4E
SCHEMBL10455909 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL992504 0.73 ALDH1A1 (0.48) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL8091206 0.73 POLB (0.49) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL31378983 0.70 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL18484513 0.70 GABRA1 (0.50) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL2555582 0.70 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1ASMN1; SMN2TSHR
SCHEMBL26317003 0.70 CES2 (0.47) POLBMAPTKDM4ETDP1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0121979-B1 AZOLYLMETHYL TETRAHYDROFURAN DERIVATIVES AS PLANT GROWTH REGULATORS AND FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-26 EP disclosed
EP-0089100-B1 AZOLYL DERIVATIVES AS FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4636247-A TETRAHYDROFURANYLMETHYLIMIDAZOLES AND -TRIAZOLES, FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-13 US disclosed
US-4518415-A PLANT GROWTH REGULATORS, FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-21 US disclosed
EP-0121979-A2 Azolylmethyl tetrahydrofuran derivatives as plant growth regulators and fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-17 EP disclosed
EP-0089100-A2 Azolyl derivatives as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-09-21 EP disclosed