SCHEMBL5088067

SCHEMBL5088067

CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
HPGD P15428 2/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2C9 P11712 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
TRPV1 Q8NER1 9/20 0.93
MEN1 O00255 1/20 0.87
TP53 P04637 1/20 0.87
MAPT P10636 1/20 0.87
MTOR P42345 1/20 0.87
KMT2A Q03164 1/20 0.87
EPHX2 P34913 1/20 0.81

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
SCHEMBL29669968 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL29368417 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1155582 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
Nonivamide SCHEMBL81939 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL8373082 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1155739 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL679954 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL2400979 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL5889449 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
Nonivamide SCHEMBL29425552 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152624-A2 HERBAL ENERGY-ENHANCING FORMULATION ANTAKI CENTER FOR HERBAL MEDICINE LTD (IL) 2008-12-18 WO disclosed
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed
US-5990170-A POSSESSES A PROFILE OF ACTIVITY WHICH IS SIMILAR TO, THOUGH LESS POTENT THAN .DELTA.9-THC (TETRAHYDROCANNABINOL) WITH A MIMICKING OF THE PSYCHOACTIVE EFFECTS; ANALGESICS; SIDE EFFECT REDUCTION; CARDIOVASCULAR DISORDERS LIFEGROUP S.P.A. (IT) 1999-11-23 US disclosed
EP-0799033-A1 USE OF MONO AND BICARBOXYLIC ACID AMIDES FOR THE MANUFACTURE OF A MEDICAMENT ACTIVE AT THE PERIPHERAL CANNABINOID RECEPTOR LIFEGROUP S.p.A. (IT) 1997-10-08 EP disclosed
WO-1996018391-A2 USE OF MONO AND BICARBOXYLIC ACID AMIDES FOR THE MANUFACTURE OF A MEDICAMENT ACTIVE AT THE PERIPHERAL CANNABINOID RECEPTOR LIFEGROUP S.P.A. (IT) 1996-06-20 WO disclosed
US-4789687-A FOR REDUCTION OR PREVENTION OF BODY FAT ACCUMULATION AJINOMOTO CO., INC. (JP) 1988-12-06 US disclosed
US-4680313-A Acceleration of lipid metabolism using vanillylamine derivatives AJINOMOTO CO., INC. (JP) 1987-07-14 US disclosed