SCHEMBL8949246

SCHEMBL8949246

CCO/C(=C\C(=O)O)c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP8 P22894 1/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 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
SCHEMBL8949240 1.00 TSHR (0.50) TSHRALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL8948893 0.83 HPGD (0.47) ALDH1A1KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL8948899 0.83 HPGD (0.47) ALDH1A1KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL1137907 0.81 MEN1 (0.49) TSHRALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL7947843 0.76 HPGD (0.47) TSHRALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL29535471 0.74 TSHR (0.80) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL1569293 0.74 TSHR (0.80) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL934198 0.74 MEN1 (0.53) TSHRALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL934197 0.74 MEN1 (0.53) TSHRALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL29085634 0.73 HPGD (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2ERCC5

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-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed