SCHEMBL29447635

SCHEMBL29447635

CC(C)(C)c1ccc2cc3ccc(C(C)(C)C)cc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
TYR P14679 1/20 0.42
NR1I2 O75469 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PLA2G1B P04054 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL3418351 1.00 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29438049 1.00 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL983124 1.00 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29438045 1.00 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30010382 0.94 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL348347 0.94 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29416694 0.93 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL260748 0.93 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7521505 0.92 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30010643 0.92 ALDH1A1 (0.50) 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
CN-113597438-B Mono-dentate aminopyridine IV group transition metal olefin copolymerization catalyst with ultra-high molecular weight capability and ultra-low comonomer combination 陶氏环球技术有限责任公司 2024-02-13 CN disclosed
CN-116554370-A Metallocene catalyst, preparation method and application thereof 万华化学集团股份有限公司 2023-08-08 CN disclosed
EP-3947481-A1 MONOBIDENTATE AMINOPYRIDINE GROUP IV TRANSITION METAL OLEFIN COPOLYMERIZATION CATALYSTS WITH ULTRA-HIGH MOLECULAR WEIGHT CAPABILITY AND ULTRA-LOW COMONOMER INCORPORATION Dow Global Technologies LLC (US) 2022-02-09 EP disclosed