SCHEMBL31487010

SCHEMBL31487010

OCCCn1c(CO)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.47
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.37
CCR2 P41597 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL28443020 0.87 CNR2 (0.39) CNR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL6211295 0.85 CNR2 (0.47) CNR2CNR1ALDH1A1TP53
SCHEMBL21335549 0.83 ALDH1A1 (0.44) CNR2ALDH1A1MCL1TP53
SCHEMBL28236131 0.83 CNR2 (0.51) CNR2ALDH1A1CYP1A2POLBL3MBTL1
SCHEMBL28438110 0.83 ALDH1A1 (0.39) CNR2ALDH1A1CYP1A2POLBCCR2
SCHEMBL28237312 0.83 ALDH1A1 (0.39) CNR2ALDH1A1CYP1A2POLBCCR2
SCHEMBL8687854 0.81 POLB (0.53) ALDH1A1CYP1A2POLBCCR2TSHR
SCHEMBL9974826 0.79 TSHR (0.46) ALDH1A1CYP1A2POLBTSHRKDM4E
SCHEMBL31486801 0.79 PLK1 (0.40) ALDH1A1CCR2NUDT1BACE1KDM4E
SCHEMBL18838544 0.79 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBCCR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025077825-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIO-PULMONARY DISORDERS FAUNA BIO INCORPORATED (US) 2025-04-17 WO disclosed