SCHEMBL9160020

SCHEMBL9160020

CCC(F)C(F)COB(OCC(F)C(F)CC)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TRPM2 O94759 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31
LMNA P02545 1/20 0.31
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30

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
SCHEMBL3848571 0.75 ALDH1A1 (0.38) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL907509 0.72 TSHR (0.40) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL27688895 0.72 LMNA (0.52) LMNA
SCHEMBL7796509 0.69 MEN1 (0.42) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL1677080 0.68 PCSK9 (0.42) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL15112393 0.68 KDM4E (0.45) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL3289446 0.66 PCSK9 (0.52) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL9457240 0.65 TRPA1 (0.48)
SCHEMBL7376855 0.65 CA4 (0.39) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL18526882 0.64 LMNA (0.39) MEN1ALDH1A1TSHRKMT2APCSK9

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
EP-0453503-B1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES SECR DEFENCE BRIT (GB) 1995-03-22 EP disclosed
US-5252253-A Phenyl naphthalenes having liquid crystalline properties THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-10-12 US disclosed
WO-1990008119-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-07-26 WO disclosed