SCHEMBL7207187

SCHEMBL7207187

CCCCCCCCCCCCSCCO[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
THRB P10828 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 1/20 0.41
FAAH O00519 4/20 0.38
CES1 P23141 4/20 0.38
PLA2G6 O60733 1/20 0.38
PLA2G4B P0C869 2/20 0.37
PRKD3 O94806 2/20 0.35
PRKCG P05129 2/20 0.35
PRKCB P05771 2/20 0.35
PRKCA P17252 2/20 0.35
PRKCH P24723 2/20 0.35
PRKCI P41743 2/20 0.35

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
SCHEMBL21634064 0.79 CES2 (0.41) CES2THRBGMNNTP53POLB
SCHEMBL104986 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL157306 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL93201 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL77312 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL2855857 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL68307 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL2861027 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL2855746 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR
SCHEMBL2858733 0.78 CA1 (0.43) CES2THRBBLMCA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061719-A AZOLIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE UBE INDUSTRIES, LTD. (JP) 1991-10-29 US claimed
EP-0903350-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 2003-03-12 EP disclosed
EP-0903350-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1999-03-24 EP disclosed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5362882-A Intermediates for dyes for polyesters, images for heat sensitive elements and electrography FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
EP-0518238-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-12-16 EP disclosed