SCHEMBL9505606

SCHEMBL9505606

C=CC/C1=C\CCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CXCR3 P49682 2/20 0.39
ALOX15 P16050 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
EPHX1 P07099 1/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL7914876 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL3764950 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL3764946 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL9505615 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL7914874 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL9505609 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL116659 0.98
Water SCHEMBL27870151 0.96 ALDH1A1 (0.40) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1
SCHEMBL176053 0.91
SCHEMBL27631221 0.90 ALDH1A1 (0.38) ALDH1A1CXCR3ALOX15SMN1; SMN2TAAR1

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-0360068-B1 COATED POLYNORBORNENE PRODUCT AND METHOD THEREFOR NIPPON ZEON CO., LTD. (JP) 1993-09-08 EP disclosed