SCHEMBL8960126

SCHEMBL8960126

CSC(C)=CCOc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
AGTR1 P30556 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL919252 0.82 KDM4E (0.43) HTTMEN1NR1I2LMNAPGR
SCHEMBL9142640 0.77 HTT (0.40) HTTMEN1NR1I2LMNAPGR
SCHEMBL8960234 0.76 KDM4E (0.33) HTTMAPTHPGDKDM4EALDH1A1
SCHEMBL921795 0.74 HTT (0.50) HTT
SCHEMBL8693279 0.69 PPARD (0.48) MTNR1A
SCHEMBL6305305 0.69 NQO1 (0.35)
SCHEMBL922733 0.68 AOC3 (0.38)
SCHEMBL922731 0.68 AOC3 (0.38)
SCHEMBL5519173 0.68 L3MBTL1 (0.35) MEN1MAPTKMT2AALDH1A1MTNR1A
SCHEMBL10967770 0.68 MAPT (0.45) MEN1MAPTHPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516904-A SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS ALLERGAN, INC. (US) 1996-05-14 US disclosed
EP-0436398-B1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN INC (US) 1996-01-31 EP disclosed
US-5414007-A Skin disorders ALLERGAN, INC. (US) 1995-05-09 US disclosed
US-5349105-A Skin disorder ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5264456-A Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents ALLERGAN, INC. (US) 1993-11-23 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed
US-5175185-A Antiacne agents ALLERGAN, INC. (US) 1992-12-29 US disclosed
EP-0436398-A1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN, INC. (US) 1991-07-10 EP disclosed
US-5013744-A Skin disorders ALLERGAN, INC. (US) 1991-05-07 US disclosed