SCHEMBL7316244

SCHEMBL7316244

O=C(O)c1ccc(C(=O)NCC=Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
MAOB P27338 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
CACNA1B Q00975 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAM P19021 1/20 0.47
F10 P00742 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
FFAR1 O14842 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL7319093 1.00 HDAC1 (0.53) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL7316237 1.00 HDAC1 (0.53) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL9542310 0.92 NPC1 (0.56) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL9790512 0.92 NPC1 (0.56) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL7315952 0.90 HDAC1 (0.67) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL7322092 0.90 HDAC1 (0.67) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL7315942 0.90 HDAC1 (0.67) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL9790518 0.88 LMNA (0.59) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL9790446 0.88 LMNA (0.56) HDAC1MAOBALDH1A1LMNAHPGD
SCHEMBL9790510 0.88 RAB9A (0.51) HDAC1MAOBALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901465-B1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO SPA (IT) 2000-09-27 EP disclosed
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US disclosed
EP-0901465-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.p.A. (IT) 1999-03-17 EP disclosed
WO-1997043251-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.P.A. (IT) 1997-11-20 WO disclosed