SCHEMBL7896087

SCHEMBL7896087

CCCCCCCCCCC(CCC(C)CCC=C(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.53
ALOX15 P16050 2/20 0.45
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA2 P00918 2/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 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
SCHEMBL5022849 0.94 CA2 (0.49) ACE2ALOX15GRIK1GRIK2ALDH1A1
SCHEMBL3459639 0.88 TDP1 (0.53) ACE2ALOX15GRIK1GRIK2ALDH1A1
SCHEMBL16086122 0.86 ALOX15 (0.43) ACE2ALOX15ALDH1A1USP2MAPT
SCHEMBL16085983 0.86 ALOX15 (0.43) ACE2ALOX15ALDH1A1USP2MAPT
SCHEMBL16086009 0.86 ALOX15 (0.43) ACE2ALOX15ALDH1A1USP2MAPT
SCHEMBL7892407 0.86 ALOX15 (0.43) ACE2ALOX15ALDH1A1USP2MAPT
SCHEMBL31481783 0.85 ALOX15 (0.45) ACE2ALOX15GRIK1GRIK2ALDH1A1
SCHEMBL585382 0.83 ALOX15 (0.52) ALOX15GRIK1GRIK2ALDH1A1CA2
SCHEMBL10421826 0.82 ACE2 (0.65) ACE2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11041920 0.82 ALOX15 (0.59) ACE2ALOX15ALDH1A1USP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057359-A NEW ESTERS OF BACCATIN-III, 10-DEACETYLBACCATIN-III AND 14-OH-10-DEACETYLBACCATIN-III USED FOR THE TREATMENT OF ECZEMA, PSORIASIS AND METABOLIC DISORDERS MARIGEN S.A. (CH) 2000-05-02 US claimed
US-6180661-B1 WATER DISPERSIBLE CONCENTRATE MARIGEN, S.A. (CH) 2001-01-30 US disclosed
US-6057359-A NEW ESTERS OF BACCATIN-III, 10-DEACETYLBACCATIN-III AND 14-OH-10-DEACETYLBACCATIN-III USED FOR THE TREATMENT OF ECZEMA, PSORIASIS AND METABOLIC DISORDERS MARIGEN S.A. (CH) 2000-05-02 US disclosed