SCHEMBL28032839

SCHEMBL28032839

CCCc1cccc(O)c1O.[NaH].[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.62
ELANE P08246 1/20 0.50
CTSG P08311 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
PRKCI P41743 1/20 0.47
ADAMTS4 O75173 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
FYN P06241 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MMP8 P22894 1/20 0.46
CA6 P23280 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL27438781 1.00 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
SCHEMBL68921 0.98 IAPP (0.65) IAPPELANECTSGGABRA1GABRB2
Ethane SCHEMBL27804066 0.96 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
Water SCHEMBL27676525 0.96 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
Methyl Alcohol SCHEMBL27475042 0.96 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
SCHEMBL27848644 0.96 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
SCHEMBL27397030 0.96 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
Bromide SCHEMBL27499802 0.96 IAPP (0.62) IAPPELANECTSGGABRA1GABRB2
Methane SCHEMBL28051307 0.94 IAPP (0.61) IAPPELANECTSGGABRA1GABRB2
SCHEMBL27692315 0.92 IAPP (0.59) IAPPELANECTSGGABRA1GABRB2

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
CN-104955874-A Polymerization method and polymers formed therewith SCRIPPS RESEARCH INST 2015-09-30 CN disclosed