SCHEMBL9617042

SCHEMBL9617042

CC(C=O)=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
ATM Q13315 1/20 0.56
ALOX5 P09917 3/20 0.55
PTGS1 P23219 3/20 0.54
PTGS2 P35354 2/20 0.54
ALOX5AP P20292 1/20 0.50
LMNA P02545 2/20 0.49
TLR4 O00206 2/20 0.48
TLR2 O60603 2/20 0.48
EPOR P19235 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM5A P29375 1/20 0.45
BACE1 P56817 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1C3 P42330 1/20 0.45
MAPT P10636 1/20 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
SCHEMBL11176166 1.00 ALDH1A1 (0.62) ALDH1A1TSHRATMALOX5PTGS1
SCHEMBL28221267 0.83 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL6906151 0.83 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL11155936 0.83 ATM (0.54) ALDH1A1TSHRATMALOX5PTGS1
SCHEMBL9845683 0.81 MAOB (0.67) ALDH1A1TSHRTLR4TLR2MEN1
SCHEMBL9845680 0.81 MAOB (0.67) ALDH1A1TSHRTLR4TLR2MEN1
SCHEMBL21470276 0.81 AKR1C3 (0.62) ALDH1A1ATMALOX5PTGS1PTGS2
SCHEMBL9810847 0.80 ALOX5 (0.50) ALDH1A1ATMALOX5PTGS1PTGS2
SCHEMBL186778 0.78 ALDH1A1 (1.00) ALDH1A1TSHRLMNAKMT2ANPC1
SCHEMBL891311 0.78 ALDH1A1 (1.00) ALDH1A1TSHRLMNAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4009369-A None JP disclosed
JP-H049369-A PRODUCTION OF MORPHOLINE DERIVATIVE AND PIPERIDINE DERIVATIVE SUMITOMO CHEM CO LTD 1992-01-14 JP disclosed
EP-0262870-B1 MORPHOLINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-12 EP disclosed
US-4837236-A CONTROLLING PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0262870-A2 Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed
US-4370277-A Phenoxy-cinnamyl alcohols HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed
EP-0050857-A1 Phenoxy cinnamyl alcohols, processes for their production and their use as intermediates in the preparation of insecticides HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-05 EP disclosed