SCHEMBL9859980

SCHEMBL9859980

CC1(C)COC(C(=O)c2ccccc2)(c2ccccc2)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL18790466 0.91 CES2 (0.42) LMNAALDH1A1HTTCES2CES1
SCHEMBL1551316 0.82 LMNA (0.40) LMNAALDH1A1CES2CES1KMT2A
SCHEMBL22309040 0.81 TPMT (0.36) NPC1RAB9AOPRM1
SCHEMBL9800616 0.79 LMNA (0.38) LMNAALDH1A1CES2CES1KMT2A
SCHEMBL6204352 0.79 AKR1C1 (0.39) LMNAALDH1A1CES2CES1KMT2A
SCHEMBL22872421 0.77 MAPT (0.40) LMNAALDH1A1HTTCES2CES1
SCHEMBL11490512 0.76 NPSR1 (0.37) LMNAALDH1A1CES2CES1KMT2A
SCHEMBL5496475 0.76 LMNA (0.43) LMNAALDH1A1CES2CES1KMT2A
SCHEMBL18790464 0.76 POLB (0.35) LMNAALDH1A1HTTCES2CES1
SCHEMBL20091128 0.76 CES2 (0.51) LMNAALDH1A1HTTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365318-B1 BENZYL MONOKETALS AND USE THEREOF MERCK PATENT GMBH (DE) 2021-01-06 EP disclosed
EP-0234463-B1 PHOTOPOLYMERISABLE MOULDING COMPOSITIONS CONTAINING METALLIC WIRE INSERTS BASF Aktiengesellschaft (DE) 1991-03-13 EP disclosed
EP-0234463-A1 Photopolymerisable moulding compositions containing metallic wire inserts BASF Aktiengesellschaft (DE) 1987-09-02 EP disclosed
EP-0023634-B1 PROCESS FOR PRODUCING SHAPED ARTICLES FROM UNSATURATED POLYESTER RESINS BASF Aktiengesellschaft (DE) 1985-05-02 EP disclosed
EP-0023634-A1 Process for producing shaped articles from unsaturated polyester resins BASF Aktiengesellschaft (DE) 1981-02-11 EP disclosed
US-4134813-A THIOCHROMANONES, AMINE BASF AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-3998712-A ULTRAVIOLET RADIATION; LONG SHELF LIFE BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed
US-3951156-A Improving curl retention and mechanical properties of hair by glyoxal-pentaerythritol complex AVON PRODUCTS, INC. (US) 1976-04-20 US disclosed