SCHEMBL20181841

SCHEMBL20181841

CNC[C@H](C)OC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.34
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
MAPT P10636 1/20 0.33
ANPEP P15144 1/20 0.32
TSHR P16473 3/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL25602964 0.81
SCHEMBL7777947 0.81
SCHEMBL17147136 0.79
SCHEMBL3646496 0.79
SCHEMBL12835747 0.79 KISS1R (0.33) KISS1RANPEPTSHRCHRM2CHRM4
SCHEMBL2991479 0.75
SCHEMBL1402193 0.75
SCHEMBL28638213 0.75
SCHEMBL2985140 0.75
SCHEMBL4923058 0.75 ALDH1A1 (0.41) ANPEPCYP2D6CYP2C19LMNA

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-2018094275-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2018-05-24 WO disclosed