SCHEMBL11600433

SCHEMBL11600433

CC(Br)(Br)COC(=O)NC1(C(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 3/20 0.41
FAAH O00519 8/20 0.38
SLC18A2 Q05940 2/20 0.35
TRPV1 Q8NER1 5/20 0.35
CTSK P43235 4/20 0.34
CNR2 P34972 3/20 0.34
TSHR P16473 1/20 0.34
FSHR P23945 1/20 0.34

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
SCHEMBL9551099 0.77 CTSB (0.40) CTSSCTSLCTSBFAAHSLC18A2
SCHEMBL11603045 0.76 CTSL (0.38) CTSSCTSLCTSBFAAHSLC18A2
SCHEMBL8980908 0.76 FAAH (0.39) CTSSCTSLCTSBFAAHTRPV1
SCHEMBL496169 0.76 FAAH (0.39) CTSSCTSLCTSBFAAHTRPV1
SCHEMBL1012064 0.76 FAAH (0.39) CTSSCTSLCTSBFAAHTRPV1
SCHEMBL550992 0.76 FAAH (0.39) CTSSCTSLCTSBFAAHTRPV1
SCHEMBL8981350 0.76 FAAH (0.39) CTSSCTSLCTSBFAAHTRPV1
SCHEMBL5674430 0.75 SLC18A2 (0.42) CTSSCTSLCTSBFAAHSLC18A2
SCHEMBL7100758 0.75 MAPT (0.41) CTSSCTSLCTSBFAAHTRPV1
SCHEMBL4053495 0.74 KMT2A (0.41) CTSSCTSLCTSBCNR2

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-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed