SCHEMBL25320718

SCHEMBL25320718

C[C@H]1CC=C(c2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
MAP2K4 P45985 1/20 0.39
S1PR5 Q9H228 1/20 0.38
RORC P51449 1/20 0.38
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TACR1 P25103 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL25320724 1.00 CCR2 (0.40) CCR2MAP2K4S1PR5RORCNOTUM
SCHEMBL25322060 0.87 CCR2 (0.37) CCR2RORC
SCHEMBL30551004 0.87 CCR2 (0.37) CCR2RORC
SCHEMBL25322058 0.87 CCR2 (0.37) CCR2RORC
SCHEMBL29477580 0.85 USP30 (0.33) RORCTACR1
SCHEMBL32689380 0.85 USP30 (0.33) RORCTACR1
SCHEMBL24233863 0.85 USP30 (0.33) RORCTACR1
SCHEMBL24364962 0.85 USP30 (0.33) RORCTACR1
SCHEMBL24364289 0.85 ABL1 (0.39) RORCNR1H2NR1H3
SCHEMBL29477504 0.85 ABL1 (0.39) RORCNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed