SCHEMBL425971

SCHEMBL425971

CC(O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.59
MMP13 P45452 2/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP14 P50281 1/20 0.59
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
FFAR1 O14842 1/20 0.50
MME P08473 1/20 0.49
FDFT1 P37268 2/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ABCC4 O15439 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8719636 0.89 FDFT1 (0.54) MMP12MMP13MMP2MMP9MMP14
SCHEMBL2942767 0.87 TSHR (0.53) CYP1A2CYP2D6LMNAHTTTSHR
SCHEMBL2942774 0.87 TSHR (0.53) CYP1A2CYP2D6LMNAHTTTSHR
SCHEMBL109557 0.87 TSHR (0.53) CYP1A2CYP2D6LMNAHTTTSHR
SCHEMBL8719640 0.87 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8716921 0.85 HDAC2 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8716910 0.85 HDAC2 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11807780 0.85 HDAC2 (0.50) MMP12MMP13MMP2MMP9MMP14
Hydrochloric Acid SCHEMBL5382970 0.85 TSHR (0.52) CYP1A2CYP2D6LMNAHTTTSHR
Ammonia Solution, Strong SCHEMBL8813057 0.85 TSHR (0.52) CYP1A2CYP2D6LMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021190-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING SILICA COATING FILM, AND APPARATUS AND MEMBER EACH COMPRISING SILICA COATING FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-01-26 US disclosed
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 US disclosed