SCHEMBL29952629

SCHEMBL29952629

C=CCc1cccc(C=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.61
GABRB2 P47870 1/20 0.61
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 2/20 0.54
ERN1 O75460 2/20 0.52
AKR1B1 P15121 1/20 0.51
MAPT P10636 6/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX12 P18054 2/20 0.49
HTT P42858 3/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL617923 1.00 GABRA1 (0.61) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL433429 0.85 GABRA1 (0.66) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL6907532 0.83 GABRA1 (0.48) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL10041813 0.83 GABRA1 (0.63) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL168974 0.82 GABRA1 (0.79) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL4564703 0.81 GABRA1 (0.41) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL3810019 0.81 GABRA1 (0.66) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL590015 0.80 MEN1 (0.50) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL21002293 0.80 ERN1 (0.59) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL8444934 0.80 ERN1 (0.59) GABRA1GABRB2KMT2AMEN1LMNA

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
WO-2024167483-A1 POLYMERIC ORGANOMETALLIC REDOX MEDIATOR FOR CONTINUOUS KETONE AND GLUCOSE MONITORING Evolve Scientific Solutions LLC (US) 2024-08-15 WO disclosed
CN-118439938-A Preparation method of 3-allyl-2-hydroxybenzaldehyde 上海旭流化学科技有限公司 2024-08-06 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed