SCHEMBL9680476

SCHEMBL9680476

CC(C)(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ ATM Q13315 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ PTPRC P08575 3/20 0.46
▸ MAPT P10636 4/20 0.45
▸ APAF1 O14727 3/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ SENP8 Q96LD8 2/20 0.45
▸ SENP7 Q9BQF6 2/20 0.45
▸ SENP6 Q9GZR1 2/20 0.45
▸ S100A4 P26447 1/20 0.44
▸ POLB P06746 3/20 0.43

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
SCHEMBL9679962 0.99 HPGD (0.62) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL10942591 0.97 HPGD (0.61) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL9680983 0.95 ALDH1A1 (0.58) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL9680469 0.95 ALDH1A1 (0.58) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL10945947 0.93 ALDH1A1 (0.57) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL9680419 0.87 NPC1 (0.63) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9681708 0.85 SMN1; SMN2 (0.49) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL10941099 0.85 SMN1; SMN2 (0.49) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL9680508 0.85 NPC1 (0.60) HPGDALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL10946337 0.84 NPC1 (0.59) HPGDALDH1A1TSHRSMN1; SMN2NPC1

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 6 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-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 — — EP disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 — — 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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