SCHEMBL8407902

SCHEMBL8407902

C=CCO[Zr](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.c1ccc(CO[Zr](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.38
BCHE P06276 2/20 0.36
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA7 P43166 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 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
SCHEMBL7596681 0.93 ALOX15 (0.38) ALOX15TSHRBCHECA1CA9
SCHEMBL7595606 0.85 TSHR (0.50) TSHRBCHEIDO1AGXTCA1
SCHEMBL8407635 0.83 ALOX15 (0.41) ALOX15TSHRBCHEIDO1AGXT
SCHEMBL7592973 0.80 ALOX15 (0.44) ALOX15TSHRBCHEIDO1AGXT
SCHEMBL7595240 0.80 ALOX15 (0.44) ALOX15TSHRBCHEIDO1AGXT
SCHEMBL7592967 0.78 ALOX15 (0.38) ALOX15TSHRBCHECYP3A4ALDH1A1
SCHEMBL7595234 0.78 ALOX15 (0.38) ALOX15TSHRBCHECYP3A4ALDH1A1
SCHEMBL149658 0.71 TSHR (0.61) ALOX15TSHRIDO1AGXTCA1
SCHEMBL20953940 0.71 TSHR (0.61) ALOX15TSHRIDO1AGXTCA1
Ammonia Solution, Strong SCHEMBL27983434 0.70 TSHR (0.58) ALOX15TSHRIDO1AGXTCA1

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-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed