SCHEMBL11846741

SCHEMBL11846741

CCC(C)c1cc2c(c(C(C)CC)c1C(=O)O)C(=O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TTR P02766 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL11801484 0.70 ADORA2A (0.43) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL14321735 0.69 TSHR (0.53) ALDH1A1KMT2ARAB9ALMNAPKM
SCHEMBL6445692 0.69 ACE2 (0.39) MAPTALDH1A1RAB9AMAPK1PKM
SCHEMBL31402496 0.68 MAPT (0.51) MAPTALDH1A1KMT2AL3MBTL1APAF1
SCHEMBL526407 0.68 TSHR (0.48) MAPTALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL10948733 0.68 TSHR (0.49) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL4054817 0.67 MAPT (0.59) MAPTALDH1A1KMT2AL3MBTL1APAF1
SCHEMBL8603134 0.67 ACE2 (0.40) ALDH1A1RAB9APKMKDM4ENPSR1
SCHEMBL6003260 0.67 MAPT (0.57) MAPTALDH1A1KMT2AL3MBTL1APAF1
SCHEMBL21840823 0.66 TDP2 (0.39) MAPTALDH1A1KMT2APKMMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3939276-A ANTHRAQUINONES, ASTHMA, ANTIALLERGENS BURROUGHS WELLCOME CO. (US) 1976-02-17 — — US disclosed
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