SCHEMBL29647790

SCHEMBL29647790

C=CCCCc1cc(O)cc(O)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.59
PTPN11 Q06124 3/20 0.59
PTPN2 P17706 2/20 0.57
PTGES O14684 3/20 0.51
TOP2A P11388 1/20 0.51
EP300 Q09472 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
BID P55957 3/20 0.38
BCL2L1 Q07817 3/20 0.38
MCL1 Q07820 3/20 0.38
BAK1 Q16611 3/20 0.38
MMP2 P08253 2/20 0.38
F7 P08709 2/20 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
SCHEMBL29647740 0.85 CYP3A4 (0.47) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL11776746 0.82 CYP3A4 (0.49) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL11779368 0.80 NR1H2 (0.59) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL16429700 0.80 PTPN1 (0.57) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL23777436 0.79 PTPN1 (0.65) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL30261073 0.79 PTPN1 (0.81) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL18677517 0.79 PTPN1 (0.81) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL9909323 0.78 PTPN1 (0.78) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL23777437 0.78 PTPN1 (0.63) PTPN1PTPN11PTPN2PTGESTOP2A
SCHEMBL23777433 0.78 PTPN1 (0.63) PTPN1PTPN11PTPN2PTGESTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4244371-A1 PRODUCTION OF CANNABINOIDS/PHYTOCANNABINOIDS WITH A PLANT EXTRACT Technische Universität Darmstadt (DE) 2023-09-20 EP disclosed
WO-2022101306-A1 PRODUCTION OF CANNABINOIDS/PHYTOCANNABINOIDS WITH A PLANT EXTRACT Technische Universität Darmstadt (DE) 2022-05-19 WO disclosed