SCHEMBL29929375

SCHEMBL29929375

CCCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 1.00
LTA4H P09960 5/20 0.98
CYP3A4 P08684 5/20 0.98
CYP1A2 P05177 4/20 0.98
TRPV1 Q8NER1 4/20 0.98
CYP2C8 P10632 4/20 0.98
CYP2C9 P11712 4/20 0.98
CYP2B6 P20813 4/20 0.98
CYP2C19 P33261 4/20 0.98
CYP2D6 P10635 4/20 0.98
CYP2A6 P11509 3/20 0.98
CYP2E1 P05181 2/20 0.98
ALOX5 P09917 1/20 0.98
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
MTOR P42345 1/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 1/20 0.60

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
SCHEMBL4886648 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
SCHEMBL29564343 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
SCHEMBL4886657 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
SCHEMBL30335074 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
SCHEMBL29564502 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
SCHEMBL4885163 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
SCHEMBL4885150 1.00 HTR1A (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
Shogaol SCHEMBL971812 0.99 LTA4H (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
Shogaol SCHEMBL10523393 0.99 LTA4H (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1
Shogaol SCHEMBL49054 0.99 LTA4H (1.00) HTR1ALTA4HCYP3A4CYP1A2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US disclosed
US-20240216459-A1 COMPOSITION FOR PREVENTING AND/OR AMELIORATING MENSTRUAL CYCLE SYMPTOMS AND/OR DISCOMFORTS, AND METHODS OF PRODUCING AND USING THE SAME ACCESS BUSINESS GROUP INTERNATIONAL LLC 2024-07-04 US disclosed
WO-2024145374-A1 COMPOSITION FOR PREVENTING AND/OR AMELIORATING MENSTRUAL CYCLE SYMPTOMS AND/OR DISCOMFORTS, AND METHODS OF PRODUCING AND USING THE SAME ACCESS BUSINESS GROUP INTERNATIONAL LLC (US) 2024-07-04 WO disclosed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO disclosed