SCHEMBL9521935

SCHEMBL9521935

CCC(C)(C=O)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
AR P10275 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TACR1 P25103 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 1/20 0.36
RIPK1 Q13546 1/20 0.35
PTPRB P23467 1/20 0.34
HMGCR P04035 1/20 0.34
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL10652565 0.85 CETP (0.44) TSHRKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL10346735 0.85 CETP (0.44) TSHRKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL9521927 0.81 TSHR (0.47) TSHRKDM4EPOLBARALDH1A1
SCHEMBL4889465 0.81 TSHR (0.50) TSHRKDM4EPOLBARALDH1A1
SCHEMBL18526730 0.78 KDM4E (0.53) TSHRKDM4EPOLBARALDH1A1
SCHEMBL28173813 0.78 TSHR (0.47) TSHRKDM4EPOLBARALDH1A1
SCHEMBL6792841 0.77 SLC6A2 (0.47) ALDH1A1SMN1; SMN2RIPK1TAAR1
SCHEMBL19621150 0.77 TSHR (0.54) TSHRKDM4EPOLBALDH1A1TACR1
SCHEMBL14317668 0.77 TSHR (0.54) TSHRKDM4EPOLBALDH1A1TACR1
SCHEMBL13888734 0.75 KDM4E (0.46) TSHRKDM4EPOLBARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP disclosed
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP disclosed