SCHEMBL25779498

SCHEMBL25779498

COC(CNC(=O)c1cc(C)cc(C)c1C)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR6 P51684 1/20 0.38

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
SCHEMBL24136764 0.79 TDP1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14117366 0.76 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL1003874 0.74 POLB (0.47) KMT2AALDH1A1KDM4EMAPTTDP1
SCHEMBL31104618 0.74 TP53 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL31510034 0.72 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL27185262 0.72 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6739836 0.71 CYP46A1 (0.44) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL1005549 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EGAALMNATAS1R3
SCHEMBL13655602 0.71 HTT (0.36) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL13018952 0.70 ATM (0.65) MEN1KMT2AALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023124736-A1 X-RAY DEVELOPABLE MOLECULE, X-RAY DEVELOPABLE EMBOLIC MICROSPHERE AND PREPARATION METHOD THEREFOR 上海汇禾医疗科技有限公司 2023-07-06 — — WO disclosed
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