SCHEMBL9200541

SCHEMBL9200541

COC(=Cc1cccc(C(C)(C)C)c1)C(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC8 Q9BY41 4/20 0.40
ACHE P22303 3/20 0.39
MAOB P27338 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9198805 0.89 EPHX2 (0.38) EPHX2NR1H4HDAC8ACHEMAOB
SCHEMBL9286479 0.87 ACHE (0.39) EPHX2NR1H4HDAC8ACHEMAOB
SCHEMBL9198798 0.87 HDAC8 (0.40) EPHX2NR1H4HDAC8ACHEMAOB
SCHEMBL9202752 0.85 HDAC8 (0.39) EPHX2NR1H4HDAC8ACHEMAOB
SCHEMBL9206718 0.84 HSD17B2 (0.40) MAOBALDH1A1HPGDSMN1; SMN2TUBB1
SCHEMBL9206463 0.83 CACNA1B (0.39) EPHX2NR1H4HDAC8ACHEALDH1A1
SCHEMBL9207327 0.82 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL9111696 0.81 EPHX2 (0.46) EPHX2NR1H4MAOBALDH1A1SMN1; SMN2
SCHEMBL9200672 0.79 CYP4F2 (0.39) ACHEALDH1A1HPGDSMN1; SMN2TUBB1
SCHEMBL9204247 0.78 CYP3A4 (0.37) ALDH1A1HPGDSMN1; SMN2TUBB1KMT2A

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-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed