SCHEMBL21732440

SCHEMBL21732440

CC(C)(CC(C)(C)c1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ESR1 P03372 8/20 0.49
▸ ESR2 Q92731 3/20 0.49
▸ SHBG P04278 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PGR P06401 1/20 0.39

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
SCHEMBL68434 0.82 SHBG (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29457570 0.82 SHBG (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL8024041 0.79 ESR1 (0.63) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL23861356 0.79 ESR1 (0.75) ALDH1A1HPGDALOX15HSD17B10TDP1
Resorcinol SCHEMBL8748234 0.77 SHBG (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL56223 0.76 ALDH1A1 (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29499209 0.75 CYP3A4 (0.48) ALDH1A1TDP1ESR1ESR2SHBG
SCHEMBL1115741 0.75 CYP3A4 (0.48) ALDH1A1TDP1ESR1ESR2SHBG
SCHEMBL7785231 0.75 SHBG (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7522926 0.75 ESR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214715-B2 Ionic polymers and their use as wet-adhesives and coatings ACatechol, Inc. (US) 2022-01-04 — — US disclosed
US-20200056076-A1 IONIC POLYMERS AND THEIR USE AS WET-ADHESIVES AND COATINGS ACatechol, Inc. (US) 2020-02-20 — — US disclosed
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