SCHEMBL21609776

SCHEMBL21609776

CC1(c2cc(C(=O)O)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 3/20 0.45
▸ CES2 O00748 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ SRD5A2 P31213 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ HCAR3 P49019 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL21609838 0.83 NOTUM (0.57) CCR2CES2HIF1ACYP3A4TSHR
SCHEMBL21609855 0.81 CCR2 (0.43) CCR2CES2RXRARXRBRXRG
SCHEMBL21609797 0.81 CES2 (0.43) CCR2CES2RXRARXRBRXRG
SCHEMBL29659870 0.80 P2RY14 (0.41) CCR2CES2RXRARXRBRXRG
SCHEMBL22498044 0.80 P2RY14 (0.41) CCR2CES2RXRARXRBRXRG
SCHEMBL24526879 0.78 HCAR1 (0.48) CCR2CES2RXRARXRBRXRG
SCHEMBL25204381 0.78 CCR2 (0.46) CCR2CES2RXRARXRBRXRG
SCHEMBL29659833 0.77 TRPM8 (0.43) CCR2CES2RXRARXRBRXRG
SCHEMBL22497939 0.77 TRPM8 (0.43) CCR2CES2RXRARXRBRXRG
SCHEMBL503980 0.76 CES2 (0.70) CES2RXRARXRBRXRGSRD5A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-05-05 — — EP disclosed
CN-112351978-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-02-09 — — CN disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
Send feedback