SCHEMBL5821897

SCHEMBL5821897

Nc1ccc(C(=O)Oc2cccc3c2C(=O)C=CC3=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.76
▸ POLM Q9NP87 2/20 0.49
▸ POLK Q9UBT6 2/20 0.49
▸ POLL Q9UGP5 2/20 0.49
▸ POLH Q9Y253 2/20 0.49
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ P4HB P07237 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PDIA4 P13667 1/20 0.42

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
SCHEMBL12827331 0.87 TOP1 (1.00) TOP1POLMPOLKPOLLPOLH
SCHEMBL9006495 0.80 TOP1 (0.67) TOP1POLMPOLKPOLLPOLH
SCHEMBL29617334 0.76 KMT2A (0.55) KMT2AMAPTHSD17B10CYP3A4MEN1
SCHEMBL1287104 0.75 TOP1 (0.65) TOP1POLMPOLKPOLLPOLH
SCHEMBL2879378 0.75 ESR1 (0.60) KMT2AMAPTHSD17B10CYP3A4MEN1
SCHEMBL9006775 0.74 TOP1 (0.58) TOP1POLMPOLKPOLLPOLH
SCHEMBL17744861 0.73 TOP1 (0.54) TOP1KMT2AMAPTHSD17B10MEN1
SCHEMBL10394363 0.72 POLM (0.63) TOP1POLMPOLKPOLLPOLH
SCHEMBL3054875 0.72 POLM (0.63) TOP1POLMPOLKPOLLPOLH
SCHEMBL6662940 0.72 TOP1 (0.60) TOP1POLMPOLKPOLLPOLH

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
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 — — WO disclosed
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