SCHEMBL8533720

SCHEMBL8533720

CCCCCCCOc1ccc2cc(C(=O)Oc3ccc4c(c3)CCC(C(=O)Oc3ccccc3C(=O)O)C4)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.42
MCHR1 Q99705 1/20 0.42
PLK1 P53350 1/20 0.40
TAOK3 Q9H2K8 2/20 0.39
THRA P10827 1/20 0.39
PPARD Q03181 1/20 0.39
FAAH O00519 4/20 0.38
PTPN1 P18031 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 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
SCHEMBL8536717 0.94 MCHR1 (0.46) PTPN11MCHR1PLK1TAOK3FAAH
SCHEMBL8585474 0.86 MCHR1 (0.45) MCHR1PLK1FAAH
SCHEMBL8533724 0.86 TAOK3 (0.44) TAOK3THRAPPARDTAOK1TP53
SCHEMBL8531873 0.86 FFAR1 (0.46) MCHR1THRATP53TSHR
SCHEMBL8537387 0.86 FFAR1 (0.46) MCHR1THRATP53TSHR
SCHEMBL8536356 0.84 NPC1 (0.45) MCHR1THRATP53TSHR
SCHEMBL8535797 0.80 MCHR1 (0.44) MCHR1TAOK3THRATP53TSHR
SCHEMBL8533378 0.80 PTPN11 (0.46) PTPN11MCHR1PLK1TAOK3TAOK1
SCHEMBL8532517 0.79 MCHR1 (0.41) PTPN11MCHR1PLK1TAOK3TP53
SCHEMBL8536472 0.79 NPC1 (0.50) MCHR1TAOK3TP53TSHR

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-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed