SCHEMBL7736385

SCHEMBL7736385

CC(C)(C)c1ccc(C(OP(O)O)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 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
SCHEMBL9278616 0.98 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30967276 0.98 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9328504 0.86 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4440724 0.86 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10334924 0.84 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL28559171 0.83 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10583887 0.83 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9169775 0.82 NR1I2 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1028989 0.80 CYP1A2 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1028982 0.78 CYP1A2 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198326-A1 Polyolefin resin composition AOYAMA TAIZO (JP) 2002-12-26 US disclosed
EP-0679684-B1 POLYOLEFIN RESIN COMPOSITION KANEGAFUCHI CHEMICAL IND (JP) 1999-07-14 EP disclosed
EP-0679684-A1 POLYOLEFIN RESIN COMPOSITION KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-11-02 EP disclosed