Methane

Methane

SCHEMBL7939355

C.O=[N+]([O-])c1cccc2cc3ccccc3c(O)c12

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 1/20 0.53
GPR35 Q9HC97 2/20 0.50
CYP3A4 P08684 1/20 0.50
CDK2 P24941 1/20 0.49
APAF1 O14727 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
HPRT1 P00492 1/20 0.44
CTSB P07858 2/20 0.44
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL7939351 0.79 ALDH1A1 (0.51) CASP6ALDH1A1TDP1TSHRGPR35
SCHEMBL17603289 0.78 GPR35 (0.59) CASP6ALDH1A1TDP1GPR35APAF1
SCHEMBL30496200 0.77 ALDH1A1 (0.61) CASP6ALDH1A1TDP1TSHRGPR35
SCHEMBL28749541 0.76 ALDH1A1 (0.55) CASP6ALDH1A1TDP1TSHRGPR35
SCHEMBL4369022 0.76 CASP6 (0.75) CASP6ALDH1A1TDP1TSHRGPR35
Trinitrophenol SCHEMBL27908169 0.75 ALDH1A1 (0.69) CASP6ALDH1A1TDP1TSHRGPR35
SCHEMBL30696914 0.74 ALDH1A1 (0.68) CASP6ALDH1A1TDP1TSHRGPR35
Methane SCHEMBL7938130 0.74 MEN1 (0.69) CASP6ALDH1A1TDP1TSHRCYP3A4
SCHEMBL579426 0.74 ALDH1A1 (0.68) CASP6ALDH1A1TDP1TSHRGPR35
SCHEMBL9386657 0.74 CASP6 (0.73) CASP6ALDH1A1TDP1TSHRGPR35

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-6242161-B1 ABSORPTION COATINGS USING COPOLYMERS JSR CORPORATION (JP) 2001-06-05 US disclosed