SCHEMBL9871797

SCHEMBL9871797

c1ccc2c(c1)ccc1c3c(ccc12)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAD Q92934 2/20 0.53
HPRT1 P00492 3/20 0.52
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPK1 P28482 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
RGS17 Q9UGC6 2/20 0.46
RGS12 O14924 2/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46

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
SCHEMBL403982 0.90 BAD (0.49) BADHPRT1ALDH1A1MAPTKDM4E
SCHEMBL30400843 0.90 BAD (0.49) BADHPRT1ALDH1A1MAPTKDM4E
SCHEMBL30012637 0.81 BAD (0.44) BADHPRT1ALDH1A1MAPTKDM4E
SCHEMBL2029565 0.76 HPRT1 (0.61) HPRT1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL8231432 0.76 GPR84 (0.52) HPRT1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL3073151 0.75 ITGB2 (0.46) HPRT1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL1692303 0.73 BAD (0.48) BADALDH1A1MAPTKDM4EMAPK1
SCHEMBL25510 0.72 HPRT1 (1.00) HPRT1ALDH1A1MAPTMAPK1HSD17B10
Chrysene SCHEMBL384031 0.72 HPRT1 (1.00) HPRT1ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL31177955 0.72 HPRT1 (1.00) HPRT1ALDH1A1MAPTMAPK1HSD17B10

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
US-5024743-A Prophylaxis and therapy of infectious diseases MADAUS GMBH & CO. (DE) 1991-06-18 US disclosed
US-4835178-A Methylendioxyphenathrene and stilben derivatives, process for the preparation thereof, pharmaceutical compositions using these, and therapeutic applications DR. MADAUS & CO. (DE) 1989-05-30 US disclosed