SCHEMBL21976725

SCHEMBL21976725

CCC(=O)OC(C1CCCCC1)C(C)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ METAP2 P50579 2/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL21976712 0.99 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL21976887 0.93 MEN1 (0.39) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL20682880 0.82 METAP2 (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17901243 0.82 METAP2 (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17901244 0.82 METAP2 (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17901133 0.81 METAP2 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17901132 0.81 METAP2 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL20682901 0.81 METAP2 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL21985609 0.77 RAB9A (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL21976920 0.77 MTNR1A (0.45) LMNACYP1A2MEN1KMT2ARAB9A

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-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 — — EP disclosed
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