SCHEMBL8948917

SCHEMBL8948917

COCc1ccccc1/C(C)=C/C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
PRMT5 O14744 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
C5AR1 P21730 1/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8948921 1.00 TSHR (0.48) TSHRLMNAALDH1A1PRMT5HDAC3
SCHEMBL8949039 0.86 HTT (0.41) TSHRLMNAALDH1A1PRMT5HDAC3
SCHEMBL8948883 0.84 TSHR (0.48) TSHRLMNAALDH1A1KMT2AHTT
SCHEMBL8948890 0.84 TSHR (0.48) TSHRLMNAALDH1A1KMT2AHTT
SCHEMBL3145722 0.78 LMNA (0.46) TSHRLMNAALDH1A1PRMT5HDAC3
SCHEMBL17755154 0.77 TSHR (0.53) TSHRLMNAALDH1A1KMT2AHPGD
SCHEMBL3150175 0.76 ALDH1A1 (0.62) TSHRLMNAALDH1A1KMT2AHTT
SCHEMBL6600262 0.76 ALDH1A1 (0.44) TSHRLMNAALDH1A1PRMT5HDAC3
SCHEMBL16245167 0.76 TSHR (0.46) TSHRLMNAALDH1A1PRMT5HDAC3
SCHEMBL9510864 0.76 TSHR (0.51) TSHRLMNAALDH1A1KMT2AHTT

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