SCHEMBL21985594

SCHEMBL21985594

CCC(=O)OC(C)[C@H](Oc1ccc(C)cc1Cl)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL17905120 0.84 NPC1 (0.39) LMNAHPGDNPC1RAB9AOPRM1
SCHEMBL17905574 0.80 RORC (0.36) HPGDNPC1RAB9AOPRM1OPRL1
SCHEMBL17905119 0.77 AAK1 (0.39) LMNAHPGDNPC1RAB9AMAPT
SCHEMBL17905082 0.74 SMN1; SMN2 (0.42) LMNAHPGDNPC1RAB9AMAPT
SCHEMBL17905505 0.72 AAK1 (0.40) HPGDMAPTKDM4EKMT2ARORC
SCHEMBL25021573 0.72 LMNA (0.42) LMNAHPGDNPC1RAB9AKDM4E
SCHEMBL17896165 0.71 NPC1 (0.36) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL17904776 0.71 NPC1 (0.36) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL21850472 0.69 MAPT (0.50) LMNAHPGDNPC1RAB9AMAPT
SCHEMBL21976712 0.68 LMNA (0.40) LMNAHPGDNPC1RAB9ASMN1; SMN2

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
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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