SCHEMBL28893816

SCHEMBL28893816

CCCc1ccccc1C=CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 13/20 0.58
▸ PTGER2 P43116 12/20 0.58
▸ PTGER4 P35408 10/20 0.58
▸ PTGDR Q13258 5/20 0.55
▸ TBXA2R P21731 4/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ PTGFR P43088 3/20 0.52
▸ PTGER1 P34995 5/20 0.52
▸ PTGIR P43119 2/20 0.51
▸ TBXAS1 P24557 1/20 0.49
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ TNKS O95271 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HCAR2 Q8TDS4 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
SCHEMBL3256824 1.00 PTGER3 (0.58) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL7530108 0.90 PTGER3 (0.56) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL8702148 0.90 PTGER3 (0.56) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL1542126 0.90 PTGER3 (0.56) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL20424548 0.89 PTGER3 (0.47) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL16339260 0.89 PTGER3 (0.55) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL16339259 0.89 PTGER3 (0.55) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL3214322 0.87 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL1150939 0.87 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL309761 0.87 PTGER3 (0.63) PTGER3PTGER2PTGER4PTGDRTBXA2R

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
CN-115710181-A Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2023-02-24 — — CN disclosed
CN-110494413-B Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2022-11-22 — — CN disclosed
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