SCHEMBL9312403

SCHEMBL9312403

C=Cc1cccc(C)c1CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
GPR84 Q9NQS5 1/20 0.40
CXCR5 P32302 1/20 0.38
THRA P10827 6/20 0.37
THRB P10828 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.36
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
P2RX7 Q99572 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 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
SCHEMBL17160000 1.00 KCNH2 (0.42) KCNH2GPR84CXCR5THRATHRB
SCHEMBL17160026 1.00 KCNH2 (0.42) KCNH2GPR84CXCR5THRATHRB
SCHEMBL11147137 0.98 KCNH2 (0.39) KCNH2GPR84CXCR5THRATHRB
SCHEMBL7944721 0.93 TSHR (0.34) KCNH2GPR84CXCR5THRATHRB
SCHEMBL10532769 0.91 KCNH2 (0.46) KCNH2GPR84THRATHRBMEN1
SCHEMBL5078058 0.91 KCNH2 (0.46) KCNH2GPR84THRATHRBMEN1
SCHEMBL10534629 0.91 KCNH2 (0.46) KCNH2GPR84THRATHRBMEN1
SCHEMBL9310858 0.87 TSHR (0.38) CXCR5THRB
SCHEMBL18568265 0.85 LIPG (0.45) KCNH2GPR84THRATHRBLIPG
SCHEMBL28297914 0.85 LIPG (0.45) KCNH2GPR84THRATHRBLIPG

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-4068676-A RELEASE AGENTS HALLIBURTON COMPANY (US) 1978-01-17 US claimed
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed
US-4620048-A POLYMER HAVE NARROW MOLECULAR WEIGHT DISTRIBUTION EXXON RESEARCH & ENGINEERING CO. (US) 1986-10-28 US disclosed
US-4068676-A RELEASE AGENTS HALLIBURTON COMPANY (US) 1978-01-17 US disclosed