SCHEMBL8405647

SCHEMBL8405647

CC(=O)OCCCc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ HBB P68871 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL14353222 0.81 MAOA (0.59) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8359453 0.80 MEN1 (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL28056451 0.79 ELANE (0.58) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8701324 0.78 MAOA (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL15144962 0.78 SIRT2 (0.37) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8405347 0.78 MAPT (0.45) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL27631765 0.78 ELANE (0.59) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL16145028 0.77 ALDH1A1 (0.58) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL27593593 0.77 MAPK1 (0.58) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8699417 0.76 MAOA (0.53) MAPTALDH1A1MAPK1MEN1KMT2A

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
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