SCHEMBL31344012

SCHEMBL31344012

Nc1ccc(Oc2ccc(CCC3=CCC(N)(Oc4ccc(N)cc4)C=C3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GFER P55789 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LTA4H P09960 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 3/20 0.33
TEAD4 Q15561 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL29488303 0.77 ALDH1A1 (0.41) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL309841 0.72 ALDH1A1 (0.70) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL12110749 0.72 ALDH1A1 (0.70) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL20897272 0.65 MAOA (0.38) MAOAMAOBSMN1; SMN2
SCHEMBL12110748 0.65 ALDH1A1 (0.64) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL12110715 0.65 ALDH1A1 (0.64) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL712164 0.65 ALDH1A1 (0.64) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL1049649 0.65 ALDH1A1 (0.64) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL1857603 0.65 ALDH1A1 (0.64) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL24080182 0.64 CYP19A1 (0.67) ALDH1A1GFERTDP1CYP3A4TSHR

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-2025047667-A1 SHEET MATERIAL AND METHOD FOR PRODUCING SHEET MATERIAL 東洋紡株式会社 2025-03-06 WO disclosed