SCHEMBL8585482

SCHEMBL8585482

OCC(O)CCCCCCCCCCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
CYP1A2 P05177 1/20 0.42
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
METAP1 P53582 1/20 0.37
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
EPHX1 P07099 1/20 0.36
GPR84 Q9NQS5 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
SCHEMBL101244 0.98 SIGMAR1 (0.45) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL15198681 0.94 SIGMAR1 (0.41) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL15241537 0.85 SIGMAR1 (0.44) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1111381 0.84 METAP1 (0.46) SIGMAR1CYP1A2ALDH1A1METAP1EPHX1
SCHEMBL11462647 0.82 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL30833259 0.82 SIGMAR1 (0.54) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL11739573 0.81 METAP1 (0.42) SIGMAR1CYP1A2ALDH1A1METAP1
SCHEMBL10358404 0.79 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL10552449 0.79 USP2 (0.54) SIGMAR1CYP1A2EPHX1
SCHEMBL9122326 0.77 SIGMAR1 (0.46) SIGMAR1CYP1A2KDM5APHF8KDM2A

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
JP-10130665-A None JP disclosed
JP-H10130665-A GAS OIL COMPOSITION NIPPON OIL CO LTD 1998-05-19 JP disclosed