SCHEMBL6558358

SCHEMBL6558358

C=C(C(=O)OC)c1cc(OC)c(CC)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA6 P23280 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA3 P07451 1/20 0.37

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
SCHEMBL6556344 0.85 CA12 (0.42) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL29002168 0.81 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL28563630 0.79 MAPT (0.50) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL12303222 0.77 LMNA (0.62) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL10317598 0.77 CA12 (0.62) KMT2AMAPK1TSHRCA12CA1
SCHEMBL9066195 0.76 CYP1A2 (0.61) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL25107612 0.75 LMNA (0.42) MEN1KMT2ARXFP1ALDH1A1MAPK1
SCHEMBL8432131 0.75 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL16450513 0.75 SMN1; SMN2 (0.56) MEN1KMT2ARXFP1KDM4EMAPK1
SCHEMBL25108827 0.73 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958285-B1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES HOFFMANN LA ROCHE (CH) 2004-01-07 — — EP disclosed
CN-1113872-C Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline HOFFMANN LA ROCHE (CH) 2003-07-09 — — CN disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 — — US disclosed
CN-1243510-A Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline HOFFMANN LA ROCHE (CH) 2000-02-02 — — CN disclosed
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 — — EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 — — WO disclosed
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