SCHEMBL28464653

SCHEMBL28464653

CCB(O)Oc1ccc(CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
CYP2C19 P33261 1/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2126535 0.83 LPL (0.52) LPLLIPGSMN1; SMN2CYP2C19RXRA
SCHEMBL20557365 0.83 ACHE (0.42) LPLLIPGALDH1A1TDP1L3MBTL1
SCHEMBL28454846 0.79 CA1 (0.38) RAB9AALDH1A1TDP1L3MBTL1LMNA
SCHEMBL2807977 0.78 LTA4H (0.39) ALDH1A1L3MBTL1LMNATSHRATM
SCHEMBL5206771 0.78 LPL (0.44) LPLLIPGSMN1; SMN2CYP2C19RXRA
SCHEMBL7851797 0.78 LPL (0.47) LPLLIPGSMN1; SMN2CYP2C19RXRA
SCHEMBL28458271 0.75 TRPV6 (0.44) ALDH1A1
SCHEMBL28084299 0.73 CYP2A6 (0.42) LPLLIPGSMN1; SMN2CYP2C19RXRA
SCHEMBL11504608 0.70 SMN1; SMN2 (0.50) LPLLIPGSMN1; SMN2CYP2C19RXRA
SCHEMBL14257682 0.70 SMN1; SMN2 (0.45) LPLLIPGSMN1; SMN2CYP2C19RXRA

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
CN-111718363-B Preparation method of borate compound 中国科学院化学研究所 2021-07-13 CN disclosed
CN-111718363-A Preparation method of borate compound 中国科学院化学研究所 2020-09-29 CN disclosed