SCHEMBL28200653

SCHEMBL28200653

CC1CCC(OCc2ccccc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 1/20 0.43
CTSF Q9UBX1 1/20 0.43
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
GRM2 Q14416 1/20 0.40
CYP1A2 P05177 1/20 0.40
NAAA Q02083 1/20 0.38
CCKBR P32239 1/20 0.38
OPRM1 P35372 2/20 0.38

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
SCHEMBL28455222 0.78 LMNA (0.53) CTSVCTSLCTSBCTSSCTSK
SCHEMBL18681826 0.77 MAPT (0.44) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL24190480 0.76 CYP1A2 (0.46) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL29015434 0.76 CYP1A2 (0.46) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL10120775 0.75 LMNA (0.43) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL20107268 0.74 PSEN1 (0.49) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL14428886 0.72 SMYD2 (0.37) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL19231385 0.72 LMNA (0.43) MAPTCYP2C19CTSVCTSLCTSB
SCHEMBL27726515 0.71 FASN (0.45)
SCHEMBL524084 0.71 LMNA (0.58) CTSVCTSLCTSBCTSSCTSK

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
CN-112661736-B Synthetic method of tylosin intermediate 广州市力鑫药业有限公司 2021-09-28 CN disclosed
CN-112661736-A Synthetic method of tylosin intermediate 广州市力鑫药业有限公司 2021-04-16 CN disclosed
CN-107709332-A A kind of C, O loop coil aryl glycoside class compound and its preparation and application 中国科学院上海药物研究所 2018-02-16 CN disclosed