SCHEMBL8324420

SCHEMBL8324420

CC(C)(C)c1cc(OC(=O)c2cccc3ccccc23)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.69
▸ POLB P06746 2/20 0.69
▸ NR1H4 Q96RI1 7/20 0.57
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ ATM Q13315 2/20 0.48
▸ ESRRA P11474 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7711664 0.78 NR1H4 (0.74) MAPTPOLBNR1H4KMT2AGAA
SCHEMBL10428429 0.77 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.53) MAPTPOLB
SCHEMBL28813458 0.75 CACNA1B (0.59) MAPTPOLBKMT2AGAAALDH1A1
SCHEMBL9196928 0.74 HPGD (0.57) MAPTPOLBKMT2AGAAALDH1A1
SCHEMBL2462911 0.74 KDM4E (0.71) MAPTPOLBKMT2AGAAATM
SCHEMBL11321541 0.73 MAPT (0.56) MAPTPOLBNR1H4KMT2AGAA
SCHEMBL24212418 0.73 NR1H4 (1.00) MAPTPOLBNR1H4KMT2AGAA
SCHEMBL12323555 0.73 NR1H4 (0.74) MAPTPOLBNR1H4KMT2AGAA
SCHEMBL11143326 0.73 ESRRA (0.62) MAPTPOLBNR1H4GAAATM
SCHEMBL27372539 0.73 KDM4E (0.69) MAPTPOLBKMT2AGAAATM

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-5942531-A Phenolic/naphtholic retinoids for promoting skin/exoskeleton pigmentation CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-08-24 — — US claimed
US-5942531-A Phenolic/naphtholic retinoids for promoting skin/exoskeleton pigmentation CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-08-24 — — US disclosed
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