SCHEMBL20799986

SCHEMBL20799986

C=CNc1ccc(COC(=O)N(C)[C@H](C(N)=O)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 3/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ ABCB1 P08183 2/20 0.36
▸ TGM2 P21980 2/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ CTSL P07711 3/20 0.34
▸ CTSB P07858 3/20 0.34
▸ CTSS P25774 3/20 0.34
▸ CTSK P43235 3/20 0.34

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
SCHEMBL21418054 0.87 TPSAB1 (0.34) TPSAB1PRSS1ABCB1TGM2F13A1
SCHEMBL19884607 0.85 TPSAB1 (0.41) TPSAB1PRSS1ABCB1TSHRKDM4E
SCHEMBL24336897 0.83 MEN1 (0.47) TPSAB1PRSS1TSHRKDM4EALDH1A1
SCHEMBL22915323 0.81 PARP10 (0.41) TPSAB1PRSS1ABCB1ALDH1A1NPC1
SCHEMBL7794342 0.79 ABCB1 (0.50) ABCB1ALDH1A1HPGDMAPK1CTSL
SCHEMBL21875528 0.76 HSD17B10 (0.46) HSD17B10
SCHEMBL21849676 0.75 TPSAB1 (0.39) TPSAB1PRSS1ABCB1TSHRKDM4E
SCHEMBL15602579 0.74 TRPV1 (0.40) TPSAB1PRSS1MAPT
SCHEMBL19146965 0.74 TRPV1 (0.40) TPSAB1PRSS1MAPT
SCHEMBL21697889 0.72 TPSAB1 (0.40) TPSAB1PRSS1ABCB1TSHRKDM4E

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
EP-3545969-B1 DOSING REGIMENS FOR ANTI-CD30 VC-PAB-MMAE ANTIBODY DRUG-CONJUGATES SEAGEN INC (US) 2023-12-13 — — EP disclosed
EP-3545969-A1 DOSING REGIMENS FOR ANTI-CD30 VC-PAB-MMAE ANTIBODY DRUG-CONJUGATES Seattle Genetics, Inc. (US) 2019-10-02 — — EP disclosed
EP-2376110-B1 WEEKLY DOSING REGIMENS FOR ANTI-CD30 VC-PAB-MMAE ANTIBODY DRUG-CONJUGATES SEATTLE GENETICS INC (US) 2019-03-13 — — EP disclosed
Send feedback