SCHEMBL25833313

SCHEMBL25833313

CC(C)CCc1ccc(-c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
AKR1C2 P52895 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
NR1I3 Q14994 1/20 0.41

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
SCHEMBL9045813 0.93 PTGS1 (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8636154 0.86 MEN1 (0.53) MEN1POLBMAPTKMT2APTGS1
SCHEMBL8080450 0.83 HTT (0.41) TSHR
SCHEMBL24141070 0.83 MMP12 (0.53) MME
SCHEMBL9176049 0.81 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL14672109 0.81 MAOB (0.53) MEN1POLBMAPTKMT2APTGS1
SCHEMBL25146502 0.81 MAOB (0.55) HTR2A
SCHEMBL28856310 0.81 ESR1 (0.52) MEN1KMT2APTGS2LMNAESR1
SCHEMBL23319649 0.79 MEN1 (0.53) MEN1POLBMAPTKMT2APTGS1
SCHEMBL18494070 0.78 TAAR1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702500-B2 Biomedical devices BAUSCH + LOMB IRELAND LIMITED (IE) 2023-07-18 US disclosed