SCHEMBL9203802

SCHEMBL9203802

CCCCOC(=Cc1ccccc1)C(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ACHE P22303 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
ESR1 P03372 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
CYP3A4 P08684 2/20 0.39

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
SCHEMBL9204754 0.92 LMNA (0.44) BCHETSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL9200646 0.87 ELANE (0.39) TSHRTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9203895 0.87 MEN1 (0.51) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL9202975 0.85 CYP2D6 (0.39) SMN1; SMN2ALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL9206463 0.84 CACNA1B (0.39) TSHRSMN1; SMN2ALDH1A1HPGDACHE
SCHEMBL27946955 0.84 CES2 (0.50) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL10497654 0.83 CES2 (0.51) TSHRTDP1ALDH1A1KDM4EMEN1
SCHEMBL9197566 0.83 MAPT (0.35) TSHRSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL9207327 0.80 ALDH1A1 (0.45) TDP1L3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5078093 0.80 TDP1 (0.51) TSHRTDP1L3MBTL1ALDH1A1KDM4E

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