SCHEMBL9681708

SCHEMBL9681708

CC(C)(C(=O)c1ccc2c(c1)CCc1ccccc1C2=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ SRD5A1 P18405 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ MAPK14 Q16539 9/20 0.44
▸ RAB9A P51151 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39

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
SCHEMBL9681137 0.92 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL10944742 0.91 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL9680435 0.88 SRD5A1 (0.48) ALDH1A1SRD5A1SRD5A2MAPK14RAB9A
SCHEMBL9679962 0.87 HPGD (0.62) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL10941099 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL9680476 0.85 HPGD (0.64) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL10942591 0.85 HPGD (0.61) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL23805897 0.84 SRD5A2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL10944580 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL10943297 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 — — US disclosed
EP-0295090-A2 Chemical process THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-14 — — EP disclosed
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
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