SCHEMBL9359074

SCHEMBL9359074

CNCC=C(Oc1ccc(C(C)=O)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
ELANE P08246 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.41

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
Fumaric Acid SCHEMBL9359110 0.95 KMT2A (0.48) KMT2ANPSR1ELANESMN1; SMN2RAB9A
SCHEMBL9359262 0.87 HTR1B (0.38) KMT2AELANEALDH1A1MAPTCYP1A2
SCHEMBL9359225 0.87 HTR1B (0.38) KMT2AELANEALDH1A1MAPTCYP1A2
SCHEMBL9359229 0.87 HTR1B (0.38) KMT2AELANEALDH1A1MAPTCYP1A2
SCHEMBL9363320 0.84 NPC1 (0.45) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9358949 0.84 ESR1 (0.41) KMT2AELANERAB9ANPC1LMNA
SCHEMBL9359049 0.83 SLC6A4 (0.40) KMT2ANPSR1ELANESMN1; SMN2RAB9A
SCHEMBL9595848 0.81 DRD4 (0.39) KMT2AELANEALDH1A1LMNAMAPT
SCHEMBL9359328 0.81 PTGS2 (0.47)
SCHEMBL9359221 0.80 ALDH1A1 (0.46) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP claimed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US claimed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO claimed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP claimed
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP disclosed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US disclosed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP disclosed