SCHEMBL6280401

SCHEMBL6280401

CCC(C)(C)CC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
RELA Q04206 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL16707823 0.82 PAM (0.46) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL23919129 0.81 HTR2A (0.48) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL11048026 0.81 HTR2A (0.48) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL13181176 0.81 LMNA (0.44)
SCHEMBL10746755 0.78 PAM (0.48) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL9466771 0.78 PAM (0.48) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL10520329 0.76 TAAR1 (0.47) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL10520320 0.76 TAAR1 (0.47) HTR2AIDO1PAMSIGMAR1MAOB
SCHEMBL9491613 0.74 HTR2A (0.43) HTR2AIDO1PAMRELASIGMAR1
SCHEMBL9491617 0.74 HTR2A (0.43) HTR2AIDO1PAMRELASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed