SCHEMBL11468792

SCHEMBL11468792

CCCCCCC[CH]CCC(Cl)CCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
DNM1 Q05193 5/20 0.34
FAAH O00519 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9646517 0.85 TSHR (0.34) TSHRDNM1FAAHTRPV1ADH1B
SCHEMBL8764482 0.83 TSHR (0.38) TSHRDNM1FAAHTRPV1ADH1B
SCHEMBL10897612 0.81 ADH1B (0.39) TSHRDNM1FAAHTRPV1ADH1B
SCHEMBL8735086 0.81 ADH1B (0.39) TSHRDNM1FAAHTRPV1ADH1B
SCHEMBL7176175 0.78 TSHR (0.41) TSHRDNM1FAAHTRPV1ADH1B
SCHEMBL9645620 0.78 TSHR (0.33) TSHRALDH1A1
Heptane SCHEMBL17076906 0.77 TSHR (0.44) TSHRDNM1THRBALDH1A1
SCHEMBL6065522 0.77 TSHR (0.44) TSHRDNM1THRBALDH1A1
Heptane SCHEMBL17076924 0.77 TSHR (0.44) TSHRDNM1THRBALDH1A1
SCHEMBL27917257 0.77 TSHR (0.44) TSHRDNM1THRBALDH1A1

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-4200545-A Amino phenol-detergent/dispersant combinations and fuels and lubricants containing same THE LUBRIZOL CORPORATION (US) 1980-04-29 US disclosed