SCHEMBL29609152

SCHEMBL29609152

O=C(O)C1CCc2ccc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.50
FABP4 P15090 9/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM4A O75164 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
FABP3 P05413 1/20 0.40

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
SCHEMBL2789968 1.00 PIN1 (0.50) PIN1FABP4TRPM8KDM4CKDM4A
SCHEMBL1843417 0.90 KDM4C (0.46) PIN1FABP4TRPM8KDM4CKDM4A
SCHEMBL2794949 0.89 KDM4C (0.42) PIN1FABP4TRPM8KDM4CKDM4A
SCHEMBL1340548 0.86 PIN1 (0.50) PIN1FABP4KDM4C
SCHEMBL1340154 0.86 PIN1 (0.50) PIN1FABP4KDM4C
SCHEMBL1337775 0.86 PIN1 (0.50) PIN1FABP4KDM4C
SCHEMBL2823313 0.85 PIN1 (0.49) PIN1TRPM8KDM4CKDM4AHTR2A
SCHEMBL30335806 0.84 PIN1 (0.59) PIN1TRPM8KDM4CKDM4A
SCHEMBL19926708 0.82 ACHE (0.39) PIN1HTR2AHTR2C
SCHEMBL21788517 0.81 PIN1 (0.51) PIN1TRPM8HTR2AHTR2C

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
EP-4251633-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-04 EP disclosed
WO-2022109741-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-06-02 WO disclosed