SCHEMBL5822162

SCHEMBL5822162

CCCCCP(=O)(CCCCC)Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
TSHR P16473 1/20 0.42
PSMD14 O00487 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 1/20 0.42
MC4R P32245 1/20 0.42
RAD52 P43351 1/20 0.42
HPGD P15428 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR7 P34969 1/20 0.40
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL13608371 0.81 ENPP2 (0.47) ENPP2TSHRTRPM8HDAC3HDAC1
SCHEMBL21303888 0.81 ENPP2 (0.47) ENPP2TSHRTRPM8CETP
SCHEMBL2996280 0.80 CETP (0.58) ENPP2TSHRHPGDCETP
SCHEMBL2991974 0.80 CETP (0.58) ENPP2TSHRHPGDCETP
SCHEMBL11017199 0.76 TSHR (0.59) TSHRHPGDCETP
SCHEMBL27042273 0.72 FAAH (0.43) ENPP2HPGDFAAH
SCHEMBL1430472 0.70 ALDH1A1 (0.59) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL2615718 0.69 ESR1 (0.63) ENPP2PSMD14HSP90AA1MMP2MC4R
SCHEMBL2615717 0.69 ESR1 (0.63) ENPP2PSMD14HSP90AA1MMP2MC4R
SCHEMBL3941872 0.69 ESR1 (0.63) ENPP2PSMD14HSP90AA1MMP2MC4R

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
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed