SCHEMBL25696350

SCHEMBL25696350

CS(=O)(=O)c1ncc(C#CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA4 P22748 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ CA14 Q9ULX7 4/20 0.34
▸ HPGD P15428 2/20 0.33
▸ EPOR P19235 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL31697409 1.00 EPHX2 (0.36) EPHX2SMN1; SMN2CA2CA12CA1
SCHEMBL31538110 0.88 CA2 (0.35) EPHX2SMN1; SMN2CA2CA12CA1
SCHEMBL31217941 0.88 TLR2 (0.36) SMN1; SMN2CA2CA12CA1CA4
SCHEMBL31697400 0.88 TLR2 (0.36) SMN1; SMN2CA2CA12CA1CA4
SCHEMBL25701620 0.87 CA2 (0.34) SMN1; SMN2CA2CA12CA1CA4
SCHEMBL22551277 0.81 FFAR1 (0.40) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL22618750 0.81 FAAH (0.36) EPHX2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL31697519 0.80 TLR2 (0.33) —
SCHEMBL22561348 0.80 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL22551273 0.79 CYP1A2 (0.32) CA2CA12CA1CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4631952-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-10-15 — — EP disclosed
WO-2024235132-A9 COMPOUND HAVING BIOLOGICAL ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-06-19 — — WO disclosed
WO-2024235128-A9 ANTIBODY-DRUG CONJUGATE AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-06-19 — — WO disclosed
WO-2024235132-A1 COMPOUND HAVING BIOLOGICAL ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 — — WO disclosed
WO-2024235128-A1 ANTIBODY-DRUG CONJUGATE AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 — — WO disclosed
WO-2023109965-A1 CAMPTOTHECIN COMPOUND AND CONJUGATE THEREOF 迈威(上海)生物科技股份有限公司 2023-06-22 — — WO disclosed
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