SCHEMBL21962886

SCHEMBL21962886

CCCCCCC(C)=CCC/C(C)=C/CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
UGT1A1 P22309 1/20 0.61
SQLE Q14534 6/20 0.53
LSS P48449 1/20 0.53
PTPN1 P18031 1/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
TRPA1 O75762 1/20 0.38
INHA P05111 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL27498773 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10743542 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9474790 0.98 KMT2A (0.63) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9474794 0.98 KMT2A (0.63) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL29770496 0.92 KMT2A (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL4586773 0.92 MEN1 (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8998739 0.92 MEN1 (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL22556624 0.92 MEN1 (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL5439961 0.92 MEN1 (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8998633 0.92 MEN1 (0.48) KMT2AMAPTMEN1CYP3A4ALOX15

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-4281553-A1 ACYL ACTIVATING ENZYMES FOR PREPARATION OF CANNABINOIDS BayMedica, Inc. (US) 2023-11-29 EP disclosed
WO-2022159589-A1 ACYL ACTIVATING ENZYMES FOR PREPARATION OF CANNABINOIDS BAYMEDICA, INC. (US) 2022-07-28 WO disclosed
EP-3873451-A1 CANNABINOID ANALOGS AND METHODS FOR THEIR PREPARATION BayMedica, Inc. (US) 2021-09-08 EP disclosed
WO-2020102430-A1 USE OF TYPE I AND TYPE II POLYKETIDE SYNTHASES FOR THE PRODUCTION OF CANNABINOIDS AND CANNABINOID ANALOGS BAYMEDICA, INC. (US) 2020-05-22 WO disclosed