SCHEMBL7854007

SCHEMBL7854007

C=CCc1cc2c(cc1O)CCC(=O)N2CC=C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.45
HSD17B1 P14061 2/20 0.39
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SRD5A1 P18405 1/20 0.34
MAPT P10636 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CHRM1 P11229 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7854015 0.95 PTPN1 (0.45) PTPN1HSD17B1HTTHPGDMEN1
SCHEMBL7854024 0.83 PTPN1 (0.38) PTPN1MAPTATAD2CHRM1
SCHEMBL7853603 0.81 PTPN1 (0.38) PTPN1MAPTATAD2CHRM1
SCHEMBL7848198 0.79 PTPN1 (0.38) PTPN1MEN1KMT2A
SCHEMBL7853422 0.79 ALDH1A1 (0.39) PTPN1HSD17B1HTTKMT2ASMN1; SMN2
SCHEMBL7853425 0.79 ALDH1A1 (0.39) PTPN1HSD17B1HTTKMT2ASMN1; SMN2
SCHEMBL7852912 0.77 PTPN1 (0.40) PTPN1MEN1KMT2A
SCHEMBL7856163 0.74 SRD5A1 (0.38) PTPN1SRD5A1
SCHEMBL7852247 0.74 SRD5A1 (0.38) PTPN1SRD5A1
SCHEMBL10746984 0.74 HSD17B1 (0.39) PTPN1HSD17B1HTTHPGDSRD5A1

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
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed