SCHEMBL21616664

SCHEMBL21616664

CCS(=O)(=O)c1ccc(CNC(=O)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.53
KMT2A Q03164 2/20 0.52
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.50
PSIP1 O75475 1/20 0.49
GRK2 P25098 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL20319855 0.84 KMT2A (0.58) RORCKMT2ACA1CA2POLB
SCHEMBL5759432 0.83 RORC (0.59) RORCKMT2ACA1CA2POLB
SCHEMBL28253979 0.81 CYP2C9 (0.56) RORCKMT2ACA1CA2PSIP1
SCHEMBL23254727 0.77 TPSAB1 (0.50) KMT2ACA1CA2TDP1KDM4E
SCHEMBL12326826 0.77 KMT2A (0.62) KMT2APOLBTDP1USP2ALDH1A1
SCHEMBL29488705 0.76 RORC (0.71) RORCCA1CA2POLBTDP1
SCHEMBL28353018 0.75 RORC (0.66) RORCKMT2ACA1CA2POLB
SCHEMBL28909371 0.75 RORC (0.62) RORCCA1CA2ALDH1A1
SCHEMBL935250 0.75 EPHX2 (0.56) RORCKMT2ACA1CA2MAPT
SCHEMBL21616621 0.75 PSIP1 (0.50) RORCCA1CA2PSIP1CA12

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
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO disclosed