SCHEMBL25877173

SCHEMBL25877173

C#CC(O)(c1ccc(OCCCCCC)cc1)c1ccc(OCCCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 6/20 0.49
LTA4H P09960 2/20 0.49
RARB P10826 3/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLA2G4A P47712 1/20 0.44

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
SCHEMBL10262594 0.95 LTA4H (0.47) NR5A1TP53TSHRLTA4HLMNA
SCHEMBL28370253 0.89 AHR (0.43) NR5A1TSHRLTA4HLMNAMAPT
SCHEMBL15763651 0.89 LTA4H (0.42) NR5A1TSHRLTA4HNPC1LMNA
SCHEMBL28365758 0.89 LTA4H (0.51) NR5A1TP53TSHRLTA4HNPC1
SCHEMBL1818269 0.89 AHR (0.43) NR5A1TSHRLTA4HLMNAMAPT
SCHEMBL9933229 0.89 LTA4H (0.51) NR5A1TP53TSHRLTA4HNPC1
SCHEMBL10261885 0.89 LTA4H (0.47) LTA4HLMNAHSD17B10
SCHEMBL1959801 0.88 FAAH (0.47) NR5A1TP53TSHRLTA4HLMNA
SCHEMBL15947095 0.84 ACACB (0.44) LTA4HLMNA
SCHEMBL11649452 0.84 NR5A1 (0.51) NR5A1TP53TSHRPLA2G4BLTA4H

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
WO-2023140186-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-27 WO disclosed