SCHEMBL8840938

SCHEMBL8840938

COc1ccc2c3cc(C)ccc3c3ccc(C)cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.54
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43

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
SCHEMBL17552367 0.94 ACHE (0.52) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL17552365 0.94 ACHE (0.52) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL10023273 0.94 ACHE (0.52) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL17133046 0.88 ALDH1A1 (0.58) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL17133042 0.88 ALDH1A1 (0.58) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL12551025 0.86 ACHE (0.45) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL12589223 0.86 ACHE (0.48) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL2021618 0.81 MAPT (0.59) KDM4EALDH1A1MAPTMEN1TSHR
SCHEMBL17536913 0.81 MAPT (0.59) KDM4EALDH1A1MAPTMEN1TSHR
SCHEMBL1615040 0.81 MAPT (0.59) KDM4EALDH1A1MAPTMEN1TSHR

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-5637669-A THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS THE DOW CHEMICAL COMPANY (US) 1997-06-10 — — US disclosed
EP-0670856-A1 THERMOSETTABLE COMPOSITION CONTAINING MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1995-09-13 — — EP disclosed
WO-1994012556-A2 THERMOSETTABLE COMPOSITION CONTAINING DISCOTIC MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1994-06-09 — — WO disclosed
Send feedback