SCHEMBL8405347

SCHEMBL8405347

CC(=O)OCC(C)(C)Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL8405647 0.78 MAPT (0.47) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL6682201 0.73 MAPK1 (0.64) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL3111027 0.72 MEN1 (0.62) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL28302378 0.69 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16145028 0.69 ALDH1A1 (0.58) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL29798814 0.69 AKR1B1 (0.42) ALDH1A1SMN1; SMN2TSHR
SCHEMBL20512155 0.69 AKR1B1 (0.42) ALDH1A1SMN1; SMN2TSHR
SCHEMBL27593593 0.69 MAPK1 (0.58) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL23723961 0.68 MAOA (0.49) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL11240143 0.68 MAPK1 (0.57) MAPTMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955564-A USEFUL FOR COPOLYMERIZING INTO POLYMERS SUCH AS POLYESTERS AND POLYURETHANES. HAIR DYES EASTMAN CHEMICAL COMPANY (US) 1999-09-21 — — US disclosed
Send feedback