SCHEMBL4606721

SCHEMBL4606721

CC(=O)O[C@@H]1C[C@H](CC(=O)O)C[C@H](OC(C)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.40
▸ CHRM4 P08173 5/20 0.40
▸ CHRM5 P08912 5/20 0.40
▸ CHRM1 P11229 5/20 0.40
▸ CHRM3 P20309 5/20 0.40
▸ SLC6A12 P48065 5/20 0.34
▸ SLC6A11 P48066 5/20 0.34
▸ SLC6A13 Q9NSD5 5/20 0.34
▸ SLC6A1 P30531 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL4607441 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4606719 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4606437 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4609448 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4606440 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5095310 0.85 USP2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5095308 0.85 USP2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4648814 0.83 PPM1D (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4606928 0.83 PPM1D (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4607406 0.83 PPM1D (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3

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
EP-1234885-B1 A process for the preparation of beta-hydroxy-delta-lactone using novel intermediates COUNCIL SCIENT IND RES (IN) 2008-07-23 — — EP disclosed
EP-1234885-A1 A process for the preparation of beta-hydroxy-delta-lactone using novel intermediates Council of Scientific & Industrial Research (IN) 2002-08-28 — — EP disclosed
US-6417374-B1 Process for the preparation of beta hydroxy-delta lactone using novel intermediates COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-07-09 — — US disclosed
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