SCHEMBL9359339

SCHEMBL9359339

CN(C)CC=C(Oc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
PGR P06401 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HTR1D P28221 2/20 0.40
KCNA3 P22001 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ATM Q13315 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
SCHEMBL9359000 0.82 ALDH1A1 (0.50) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL9359075 0.80 SLC6A2 (0.41) ALDH1A1HPGD
SCHEMBL9359061 0.80 ALDH1A1 (0.38) ALDH1A1PTGS1TDP1
SCHEMBL9359296 0.79 L3MBTL1 (0.43) ALDH1A1TDP1MRGPRX4ATM
SCHEMBL9358968 0.79 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL9358937 0.77 MAPT (0.50) ALDH1A1MAPK1KDM4ETDP1MRGPRX4
SCHEMBL9359292 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4ETDP1
SCHEMBL9359086 0.74 KMT2A (0.41) ALDH1A1HSD17B10GAA
Fumaric Acid SCHEMBL10475671 0.71 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL9359148 0.70 PLA2G7 (0.34)

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
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
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