SCHEMBL9259808

SCHEMBL9259808

C/C=C(\C(=O)Cl)c1ccccc1COC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
PRMT5 O14744 1/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
HIF1A Q16665 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
PDK2 Q15119 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
FFAR1 O14842 1/20 0.35
C5AR1 P21730 1/20 0.34

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
SCHEMBL9021410 1.00 HDAC3 (0.39) HDAC3HDAC1PRMT5TP53HTT
SCHEMBL9021457 0.85 HDAC3 (0.40) HDAC3HDAC1PRMT5TP53HTT
SCHEMBL9021460 0.85 HDAC3 (0.40) HDAC3HDAC1PRMT5TP53HTT
SCHEMBL9267454 0.84 HDAC3 (0.42) HDAC3HDAC1PRMT5LMNAALDH1A1
SCHEMBL9021316 0.84 HDAC3 (0.42) HDAC3HDAC1PRMT5LMNAALDH1A1
SCHEMBL9258956 0.81 HDAC3 (0.40) HDAC3HDAC1PRMT5HTTTSHR
SCHEMBL9021885 0.81 HDAC3 (0.40) HDAC3HDAC1PRMT5HTTTSHR
SCHEMBL6600262 0.81 ALDH1A1 (0.44) HDAC3HDAC1PRMT5TP53HTT
SCHEMBL9262462 0.80 TP53 (0.48) TP53HTTALDH1A1KMT2AMRGPRX4
SCHEMBL9021287 0.80 TP53 (0.48) TP53HTTALDH1A1KMT2AMRGPRX4

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-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed