SCHEMBL9315396

SCHEMBL9315396

C[C](CCCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALOX5 P09917 3/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
FAAH O00519 3/20 0.47

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
SCHEMBL7371966 0.85 ALDH1A1 (0.59) MAPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL9416074 0.82 MEN1 (0.58) MAPK1SMN1; SMN2ALDH1A1CES1
SCHEMBL3432106 0.82 MEN1 (0.49) MAPK1SMN1; SMN2CES1
SCHEMBL6164475 0.81 MAPT (0.61) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8526583 0.81 KCNH2 (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2162299 0.79 MAPT (0.59) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8123200 0.79 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7864099 0.79 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8108303 0.79 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2792481 0.78 CES1 (0.55) MAPK1HDAC8HDAC6ALDH1A1CES1

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
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed