SCHEMBL10947300

SCHEMBL10947300

CC(=O)C1=CC=C2C(=Cc3cc(C(C)=O)ccc32)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.43
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B1 P14061 2/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ PTPRC P08575 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ PRKCI P41743 1/20 0.30

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
SCHEMBL600297 0.82 TTR (0.44) MAPTKMT2APTPRCALDH1A1TTR
SCHEMBL8014888 0.80 CDC25A (0.40) S100A4MAPTNPC1RAB9AKMT2A
SCHEMBL10942357 0.79 KDM4E (0.40) S100A4PTPRCTTR
Anthraquinone SCHEMBL8529111 0.78 CDC25B (0.41) S100A4MAPTNPC1RAB9AKMT2A
SCHEMBL5846676 0.76 MAPT (0.44) MAPTRAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL10947560 0.75 — —
SCHEMBL10945370 0.75 — —
SCHEMBL10948633 0.72 — —
SCHEMBL9680985 0.70 ALDH1A1 (0.46) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL599579 0.70 TTR (0.44) MAPTKMT2APTPRCALDH1A1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
Send feedback