SCHEMBL7606068

SCHEMBL7606068

CC(CCCCCO)C(=O)C(=O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 7/20 0.38
KDM4E B2RXH2 7/20 0.38
LMNA P02545 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL28192977 0.73 NAAA (0.54) NAAAALDH1A1LMNATSHRCA1
SCHEMBL9717253 0.73 NAAA (0.54) NAAAALDH1A1LMNATSHRCA1
SCHEMBL29534447 0.72 NAAA (0.47) NAAAALDH1A1HPGDKDM4ELMNA
SCHEMBL8471027 0.70 PGR (0.45) ALDH1A1HPGDLMNAHSD17B10TSHR
Phthalic Acid SCHEMBL27695157 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TDP1MAPT
Phthalic Acid SCHEMBL28578086 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TDP1MAPT
SCHEMBL8473579 0.70 PGR (0.45) ALDH1A1HPGDLMNAHSD17B10TSHR
Cetyl Alcohol SCHEMBL27940954 0.69 ALDH1A1 (0.60) NAAAALDH1A1HPGDKDM4ELMNA
Tridecan-1-Ol SCHEMBL28169604 0.69 ALDH1A1 (0.60) NAAAALDH1A1HPGDKDM4ELMNA
Myristyl Alcohol SCHEMBL27783736 0.69 ALDH1A1 (0.60) NAAAALDH1A1HPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124814-B1 AROMATIC DERIVATIVES AND IRON COMPLEXES THEREOF FOR THE USE AS NORMALISING AGENTS OF THE IRON LEVEL MEDIDOM LAB (CH) 2002-12-18 EP disclosed
US-6455578-B1 IRON CHELATING AGENTS FOR TREATMENT OF IRON OVERLOAD AND ANEMIA. LABORATOIRE MEDIDOM S.A. (CH) 2002-09-24 US disclosed
EP-1124814-A1 AROMATIC DERIVATIVES AND IRON COMPLEXES THEREOF FOR THE USE AS NORMALISING AGENTS OF THE IRON LEVEL LABORATOIRE MEDIDOM S.A. (CH) 2001-08-22 EP disclosed
WO-2000026205-A1 AROMATIC DERIVATIVES AND IRON COMPLEXES THEREOF FOR THE USE AS NORMALISING AGENTS OF THE IRON LEVEL LABORATOIRE MEDIDOM S.A. (CH) 2000-05-11 WO disclosed