SCHEMBL9681331

SCHEMBL9681331

CC(C)(C(=O)c1ccc2c(c1)CCCC2)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ TSHR P16473 1/20 0.57
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ KDM2B Q8NHM5 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 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
SCHEMBL9681072 0.99 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL11244958 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL3667774 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL22355416 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL9679431 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL11254582 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL10887268 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL10458798 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL10944580 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A
SCHEMBL9680354 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1TSHRRAB9A

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 7 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
US-4321118-A Bis benzoyl sensitizers for photopolymerization or photo cross linking process and composition CIBA-GEIGY CORPORATION (US) 1982-03-23 — — US disclosed
US-4318791-A PHOTOPOLYMERIZABLE SYSTEM FOR INKS CIBA-GEIGY CORPORATION (US) 1982-03-09 — — US disclosed
US-4315807-A Sensitizers for photopolymerization CIBA-GEIGY CORPORATION (US) 1982-02-16 — — US disclosed
US-4308400-A AROMATIC HYDROXY KETONES CIBA-GEIGY A.G. (CH) 1981-12-29 — — US disclosed
EP-0003002-A2 Use of aromatic-aliphatic ketones as photoinitiators, photopolymerisable systems containing such ketones and aromatic-aliphatic ketones CIBA-GEIGY AG (CH) 1979-07-11 — — EP disclosed
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