SCHEMBL9359072

SCHEMBL9359072

CN(C)CC=C(Oc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HTT P42858 1/20 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
SCHEMBL9359335 0.88 RAB9A (0.52) MAOBRAB9AHPGDALDH1A1GAA
SCHEMBL9359286 0.84 MAOB (0.46) MAOBMAOARAB9AALDH1A1LMNA
SCHEMBL9358937 0.79 MAPT (0.50) ALDH1A1LMNAKMT2A
SCHEMBL9358968 0.78 ALDH1A1 (0.40) ALDH1A1KMT2APKM
SCHEMBL9359118 0.76 SLC6A4 (0.44) ALDH1A1
SCHEMBL27957202 0.73 LMNA (0.74) MAOBMAOARAB9AHPGDTSHR
SCHEMBL9359302 0.72 CASP3 (0.48) MAOBRAB9AHPGDALDH1A1CTNNB1
SCHEMBL9359120 0.71 SLC6A4 (0.44) KMT2A
Fumaric Acid SCHEMBL10475671 0.70 ALDH1A1 (0.41) RAB9AALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL9359294 0.69 MTNR1A (0.46) MAOBRAB9ASMN1; SMN2NPC1

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 5 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
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
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO disclosed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP disclosed