SCHEMBL29964004

SCHEMBL29964004

CCCCCc1ccccc1C=CC=CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
LMNA P02545 1/20 0.39
MDM2 Q00987 1/20 0.39
PPARA Q07869 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
SCHEMBL24352133 1.00 THRA (0.45) THRATHRBCYP4F2CYP4A11PTGER4
SCHEMBL29964076 0.91 CA12 (0.42) CYP4F2CYP4A11PTGER4PTGER3PTGER2
SCHEMBL24352084 0.91 CA12 (0.42) CYP4F2CYP4A11PTGER4PTGER3PTGER2
SCHEMBL24611344 0.91 THRA (0.48) THRATHRBCYP4F2CYP4A11PTGER4
SCHEMBL7867315 0.90 THRA (0.50) THRATHRBCYP4F2CYP4A11PTGER4
SCHEMBL9560108 0.90 THRA (0.50) THRATHRBCYP4F2CYP4A11PTGER4
SCHEMBL9560107 0.90 THRA (0.50) THRATHRBCYP4F2CYP4A11PTGER4
SCHEMBL20424344 0.84 BID (0.47) THRATHRBPTGER4PTGER3PTGER2
SCHEMBL24611343 0.81 CA12 (0.49) PTGER4PTGER3PTGER2MAPTCA12
SCHEMBL9526496 0.80 KDM4E (0.35) CYP4F2CYP4A11PTGER4PTGER3PTGER2

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