SCHEMBL21616633

SCHEMBL21616633

CCCCOC[C@@H]1CCC(c2ccc(C(F)(F)F)cc2)CN1c1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
P2RY14 Q15391 5/20 0.40
PTGER4 P35408 2/20 0.38
PTGER2 P43116 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
RARB P10826 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CCR2 P41597 2/20 0.36
KCNH2 Q12809 1/20 0.36
SRD5A2 P31213 1/20 0.36
LTA4H P09960 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 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
SCHEMBL28532617 0.93 LIPC (0.40) LIPCLIPGP2RY14PTGER4PTGER2
SCHEMBL23632088 0.91 P2RY14 (0.38) LIPGP2RY14PTGER4KDM2BCCR2
SCHEMBL21616645 0.91 P2RY14 (0.38) LIPGP2RY14PTGER4KDM2BCCR2
SCHEMBL28626815 0.91 P2RY14 (0.38) LIPGP2RY14PTGER4KDM2BCCR2
SCHEMBL28614536 0.91 P2RY14 (0.38) LIPGP2RY14PTGER4KDM2BCCR2
SCHEMBL21616597 0.90 SRD5A2 (0.37) P2RY14PTGER4CCR2KCNH2SRD5A2
SCHEMBL21616595 0.87 SRD5A2 (0.38) LIPGP2RY14PTGER4KDM2BCCR2
SCHEMBL28910599 0.87 P2RY14 (0.37) P2RY14PTGER4KDM2BSRD5A2LTA4H
SCHEMBL23631928 0.86 P2RY14 (0.37) P2RY14PTGER4KDM2BCCR2KCNH2
SCHEMBL23632375 0.86 P2RY14 (0.37) P2RY14PTGER4KDM2BCCR2KCNH2

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