SCHEMBL17900613

SCHEMBL17900613

CCCCO[C@@H](C)[C@H](OCC1CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ UGCG Q16739 4/20 0.35
▸ GBA2 Q9HCG7 4/20 0.35
▸ GBA1 P04062 3/20 0.35
▸ LCT P09848 3/20 0.35
▸ MGAM O43451 2/20 0.35
▸ SI P14410 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ GPR88 Q9GZN0 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17896242 0.82 SIGMAR1 (0.38) —
SCHEMBL22474188 0.82 SIGMAR1 (0.38) —
SCHEMBL19757660 0.81 GPR88 (0.38) ACACBACACAGPR88
SCHEMBL17900654 0.79 CYP2C9 (0.41) CYP3A4CYP1A2CYP2C9TSHRACACB
SCHEMBL17900550 0.75 GPR88 (0.38) ACACBACACAGPR88
SCHEMBL17900634 0.74 CYP3A4 (0.43) CYP3A4ALDH1A1PTGESALOX5PPARG
SCHEMBL28348403 0.72 LTA4H (0.42) CYP3A4CYP1A2CYP2C9PTGESALOX5
SCHEMBL22474334 0.70 GPR88 (0.40) GPR88POLB
SCHEMBL22394295 0.69 ADRA2A (0.39) GPR88KCNA3ALDH1A1
SCHEMBL6558980 0.68 LMNA (0.40) CYP3A4CYP2C9GPR88ALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109305-A1 USE OF PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109304-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
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