SCHEMBL7807946

SCHEMBL7807946

CC1=Cc2cc(C(C)(C)C)ccc2C1[Zr](C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
KIF11 P52732 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7597881 0.85 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7048467 0.83 ALDH1A1 (0.30) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7705601 0.76 TSHR (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL7943578 0.75 TSHR (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL7597879 0.75 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7032902 0.73 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL29612300 0.73 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL27785791 0.73 ALDH1A1 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6917756 0.71 ALDH1A1 (0.31) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5353831 0.71 ALDH1A1 (0.31) ALDH1A1HPGDALOX15HSD17B10TDP1

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
CN-1498231-A Propylene polymer for films ����ɭ���ڻ�ѧר����˾ 2004-05-19 CN disclosed
US-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed