SCHEMBL29954994

SCHEMBL29954994

CCC(C)Oc1ccc2ccccc2c1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DHODH Q02127 1/20 0.37
NCEH1 Q6PIU2 4/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21223556 0.84 MAPT (0.54) MCHR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1642006 0.78 ALOX5 (0.50) MAPTRAB9ALMNAALOX5GAA
SCHEMBL29954934 0.78 MAPT (0.38) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL29956903 0.78 ALOX5 (0.50) MAPTRAB9ALMNAALOX5GAA
SCHEMBL15331311 0.78 SLC2A1 (0.49) MAPTCYP1A2CYP2C9CYP2C19DHODH
SCHEMBL1004416 0.76 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9477167 0.76 MCHR1 (0.54) MCHR1CYP1A2CYP2C19SMN1; SMN2NR2E1
SCHEMBL29517404 0.76 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29956003 0.76 CNR1 (0.51) MCHR1CYP2C9GAATDP1L3MBTL1
SCHEMBL2562676 0.75 TLR8 (0.44) MCHR1MAPTLMNANR2E1GAA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed