SCHEMBL8616633

SCHEMBL8616633

Fc1cc(-c2ccc(Cl)cn2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
ERN1 O75460 1/20 0.44
PLAU P00749 1/20 0.43
PTGER1 P34995 9/20 0.43
PRMT5 O14744 1/20 0.42
ALOX5AP P20292 2/20 0.42
CTSA P10619 1/20 0.41
CYP2C9 P11712 2/20 0.41
BACE1 P56817 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A4 P31645 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TBXA2R P21731 1/20 0.41
FEN1 P39748 2/20 0.40

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
SCHEMBL387683 0.85 ERN1 (0.44) ERN1PTGER1PRMT5ALOX5APCTSA
SCHEMBL8611382 0.85 ALOX5AP (0.47) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL8615451 0.84 MRGPRX4 (0.50) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL3920789 0.81 LRRK2 (0.42) ERN1PRMT5ALOX5APCTSAFEN1
SCHEMBL8615551 0.80 ERN1 (0.49) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL20543912 0.80 ERN1 (0.43) MRGPRX4ERN1PTGER1PRMT5ALOX5AP
SCHEMBL387208 0.80 RORC (0.46) ERN1PTGER1ALOX5APFEN1
SCHEMBL8613081 0.80 ALOX5AP (0.47) MRGPRX4ERN1PTGER1PRMT5ALOX5AP
SCHEMBL8613062 0.79 ERN1 (0.48) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL213469 0.79 ERN1 (0.43) MRGPRX4ERN1PRMT5CTSA

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-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed