SCHEMBL9481206

SCHEMBL9481206

CCN(CC(=O)OC)C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ TSPO P30536 4/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL9372436 0.89 NLRP3 (0.43) HPGDSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL769278 0.78 GAA (0.48) HPGDSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9376548 0.77 NLRP3 (0.39) SMN1; SMN2KMT2AMEN1LMNANLRP3
SCHEMBL9374168 0.75 NLRP3 (0.40) HPGDSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9369583 0.75 NLRP3 (0.40) HPGDSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9373260 0.75 ITGB1 (0.39) SMN1; SMN2NLRP3ALDH1A1
SCHEMBL9372688 0.74 F2 (0.40) HPGDSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2167246 0.73 NLRP3 (0.51) HPGDSMN1; SMN2KMT2ALMNANLRP3
SCHEMBL9368665 0.72 PIN1 (0.47) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL9368524 0.72 NLRP3 (0.37) HPGDSMN1; SMN2NLRP3ALDH1A1RAB9A

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-5186737-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1993-02-16 — — US disclosed
US-5045560-A Insecticides, nematocides, fungicides, herbicides, human and veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 — — US disclosed
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