SCHEMBL9876281

SCHEMBL9876281

CCCCc1cc2cc(C(C)C)cccc-2c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PDE9A O76083 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
ELANE P08246 2/20 0.32
CTSG P08311 2/20 0.32
APLNR P35414 2/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
TYR P14679 2/20 0.31
MDM4 O15151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9876063 0.93 GCGR (0.37) CTSSCTSKPDE9AGCGRTLR8
SCHEMBL9876406 0.90 GCGR (0.37) CTSSCTSKGCGRPPARGPPARA
SCHEMBL9876431 0.90 GCGR (0.37) CTSSCTSKGCGRPPARGPPARA
SCHEMBL9876192 0.90 GCGR (0.37) CTSSCTSKGCGRPPARGPPARA
SCHEMBL9876214 0.90 GCGR (0.37) CTSSCTSKGCGRPPARGPPARA
SCHEMBL9876293 0.85 CTSS (0.41) CTSSCTSKRXRARXRBRXRG
SCHEMBL9875245 0.81 CTSS (0.39) CTSSCTSKPDE9ARXRARXRB
SCHEMBL9875860 0.75 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9874563 0.75 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9876010 0.75 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed