SCHEMBL27259271

SCHEMBL27259271

CCCCc1[nH]cc(C)c1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NOTUM Q6P988 1/20 0.40
PDE4D Q08499 1/20 0.39
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL15061872 0.84 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL9562908 0.83 NOTUM (0.53) ALDH1A1CYP3A4TDP1NOTUMHPGD
SCHEMBL3139605 0.82 HPGD (0.36) ALDH1A1CA12CA1CA2CA7
SCHEMBL155605 0.79 SMN1; SMN2 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL158429 0.79 HPGD (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL27259664 0.78 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL1316433 0.76 NOTUM (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL2973655 0.76 NOTUM (0.57) CYP3A4NOTUM
SCHEMBL157017 0.76 KMT2A (0.41) ALDH1A1CA12CA1CA2CA7
Methane SCHEMBL27742710 0.75 SMN1; SMN2 (0.55) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119026-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2024-06-06 WO disclosed
WO-2024119026-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2024-06-06 WO disclosed