SCHEMBL11258356

SCHEMBL11258356

CC(C)(O)C(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ NPC1 O15118 9/20 0.46
▸ RAB9A P51151 9/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RXRB P28702 3/20 0.42
▸ RXRA P19793 2/20 0.42
▸ RXRG P48443 2/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11261240 0.98 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL14817233 0.87 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL20652081 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL5716811 0.82 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL23311701 0.82 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL3670728 0.80 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11249082 0.80 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL26242316 0.80 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL9561102 0.79 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL3669701 0.79 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AMAPTHDAC6

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-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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