SCHEMBL9219067

SCHEMBL9219067

CC=C(C(=O)OC)c1csc2ccc(OCC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
MTNR1A P48039 5/20 0.42
MTNR1B P49286 3/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GCK P35557 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL9219061 0.91 MAPT (0.43) MAPTALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL9215496 0.89 ALDH1A1 (0.48) MAPTALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL9220938 0.87 MTNR1A (0.49) MAPTMTNR1AMTNR1BKDM4EHPGD
SCHEMBL9215491 0.82 ALDH1A1 (0.44) MAPTALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL9312321 0.81 MAPT (0.42) MAPTALDH1A1MTNR1AMTNR1BTP53
SCHEMBL9312641 0.79 TBXAS1 (0.37) MAPTMTNR1AMTNR1BKDM4EHPGD
SCHEMBL9312539 0.79 CHEK1 (0.37) MAPTALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL9313258 0.78 FFAR1 (0.48) SMN1; SMN2
SCHEMBL9220714 0.78 MTNR1A (0.47) MAPTALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL9209256 0.77 MTNR1A (0.48) MAPTALDH1A1HSD17B10MTNR1AMTNR1B

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-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed