SCHEMBL7012095

SCHEMBL7012095

COc1ccc(C(c2ccc(OC)cc2)C2C(=O)Nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAOB P27338 1/20 0.38

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
SCHEMBL23836089 0.76 IDO1 (0.46) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL7310972 0.76 IDO1 (0.46) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL18025745 0.75 PDE4A (0.55) KMT2AMAPTALDH1A1TTRGAA
SCHEMBL24740261 0.73 IDO1 (0.48) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL24740169 0.73 IDO1 (0.48) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL12520453 0.73 IDO1 (0.44) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL18853924 0.72 TP53 (0.51) MAPTALDH1A1TP53LMNATHRB
SCHEMBL14555907 0.72 MAOB (0.57) MAPTALDH1A1TP53LMNATHRB
SCHEMBL18025766 0.71 GSK3B (0.68) MAPTALDH1A1GAAKDM4EPOLB
SCHEMBL9774494 0.69 SLC6A2 (0.43) KMT2AMAPTTDP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815859-B1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2003-06-18 — — EP disclosed
US-5977130-A CARDIOVASCULAR DISORDERS TAIHO PHARMEUTICAL CO., LTD. (JP) 1999-11-02 — — US disclosed
EP-0815859-A1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-01-07 — — EP disclosed
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