SCHEMBL8069418

SCHEMBL8069418

CCCCCC1CCC(C2CCC(C)(C(=O)O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
FFAR3 O14843 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5 P09917 1/20 0.35
CCR2 P41597 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
LIPA P38571 1/20 0.33

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
SCHEMBL8052103 0.89 FFAR3 (0.43) MAPTKMT2AFFAR3CYP2C9LMNA
SCHEMBL1080926 0.85 FFAR3 (0.46) TP53PKMMAPTMEN1KMT2A
SCHEMBL9758581 0.84 CYP1A2 (0.39) TP53PKMMAPTMEN1KMT2A
SCHEMBL9757828 0.82 TP53 (0.38) TP53PKMMAPTMEN1KMT2A
SCHEMBL9758891 0.81 PKM (0.36) TP53PKMMAPTMEN1KMT2A
SCHEMBL9758550 0.81 NAAA (0.37) TP53PKMMAPTMEN1KMT2A
SCHEMBL9757935 0.81 PKM (0.36) TP53PKMMAPTMEN1KMT2A
SCHEMBL9759152 0.80 NAAA (0.38) TP53PKMMEN1KMT2AHTT
SCHEMBL19721994 0.80 CYP1A2 (0.39) TP53PKMMAPTMEN1KMT2A
SCHEMBL21392013 0.80 CYP1A2 (0.39) TP53PKMMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed