SCHEMBL9875245

SCHEMBL9875245

CCCCc1ccc2cc(C(C)C)cccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TYR P14679 2/20 0.37
ELANE P08246 3/20 0.36
CTSG P08311 3/20 0.36
PPARA Q07869 1/20 0.36
PDE9A O76083 1/20 0.36
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TLR8 Q9NR97 1/20 0.34
PTPN5 P54829 1/20 0.34
UCHL3 P15374 1/20 0.34
NR4A2 P43354 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL9876409 0.94 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9876167 0.94 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9874563 0.94 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9876010 0.94 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9876048 0.94 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9875860 0.94 MEN1 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9876309 0.90 CTSS (0.44) CTSSCTSKRXRARXRBRXRG
SCHEMBL9875690 0.86 UCHL3 (0.40) CTSSCTSKRXRARXRBRXRG
SCHEMBL9618739 0.83 RXRA (0.46) CTSSCTSKRXRARXRBRXRG
SCHEMBL9627854 0.83 RXRA (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
US-4656194-A Azulene derivatives and their use as hypocholesterolemics AJINOMOTO CO., INC. (JP) 1987-04-07 US disclosed
EP-0187015-A2 Squarilium compound and liquid crystal composition containing the same MITSUBISHI KASEI CORPORATION (JP) 1986-07-09 EP disclosed