SCHEMBL3922333

SCHEMBL3922333

c1ccc2c3c(ccc2c1)C1[Zr]C2C4=C(CCC1=C3CC4)c1c2ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.34
MAPT P10636 4/20 0.33
HPRT1 P00492 1/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
WDR5 P61964 1/20 0.32
DNMT1 P26358 2/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 2/20 0.31
USP2 O75604 1/20 0.31
GLA P06280 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
Hydrochloric Acid SCHEMBL6255103 0.98 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNAHSD17B10
Hydrochloric Acid SCHEMBL1129509 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNAHSD17B10
Hydrochloric Acid SCHEMBL2119949 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNAHSD17B10
SCHEMBL5351880 0.66 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNAHSD17B10
SCHEMBL7602764 0.66 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNAHSD17B10
SCHEMBL7197061 0.66 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNAHSD17B10
SCHEMBL24203000 0.61 CYP1A2 (0.38) ALDH1A1KDM4EMAPK1LMNAMAPT
Ethane SCHEMBL7940437 0.60 MAPT (0.41) ALDH1A1KDM4EMAPK1LMNAHSD17B10
SCHEMBL12278879 0.59 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1LMNAHSD17B10
SCHEMBL8361830 0.59 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHSD17B10TDP1

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-1865007-B1 Propylene polymer and composition containing the same, molded object and laminate comprising these, and processes for producing propylene polymer and composition containing the same IDEMITSU KOSAN CO (JP) 2009-03-25 EP disclosed