SCHEMBL30002831

SCHEMBL30002831

C=CCc1cc(C(CC)c2ccc(O)c(CC=C)c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.56
GABRB2 P47870 5/20 0.56
POLB P06746 2/20 0.49
XDH P47989 2/20 0.47
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX5 P09917 2/20 0.45
GABRB1 P18505 1/20 0.45
RXRA P19793 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
AKR1B1 P15121 2/20 0.44
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL1960997 1.00 GABRA1 (0.56) GABRA1GABRB2POLBXDHMEN1
SCHEMBL7203313 0.87 GABRA1 (0.53) GABRA1GABRB2POLBXDHMEN1
SCHEMBL22588803 0.87 GABRA1 (0.46) GABRA1GABRB2POLBXDHMEN1
SCHEMBL18473564 0.85 GABRA1 (0.58) GABRA1GABRB2POLBXDHMEN1
SCHEMBL29386569 0.83 GABRA1 (0.59) GABRA1GABRB2POLBXDHMEN1
SCHEMBL9816379 0.83 GABRA1 (0.59) GABRA1GABRB2POLBXDHMEN1
SCHEMBL457817 0.83 GABRA1 (0.59) GABRA1GABRB2POLBXDHMEN1
SCHEMBL19104737 0.82 GABRA1 (0.63) GABRA1GABRB2POLBXDHMEN1
SCHEMBL19104733 0.81 GABRA1 (0.61) GABRA1GABRB2POLBXDHMEN1
SCHEMBL2284641 0.80 ESR1 (0.48) GAAALDH1A1HPGDBCHETYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438244-B Crosslinkable organosiloxanes alkane modified reaction resins 瓦克化学股份公司 2024-08-30 CN disclosed
US-20240247107-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2024-07-25 US disclosed
EP-4347702-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS Wacker Chemie AG (DE) 2024-04-10 EP disclosed
CN-116438244-A Crosslinkable organosiloxane modified reactive resins 瓦克化学股份公司 2023-07-14 CN disclosed
WO-2022253413-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2022-12-08 WO disclosed