SCHEMBL31052883

SCHEMBL31052883

CC(C)(C)CCC(Nc1ccccc1)C(=O)O.CS(=O)(=O)O

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 known ✓ P23975 1/20 0.39
▸ GRN P28799 3/20 0.44
▸ SORT1 Q99523 3/20 0.44
▸ RIPK1 Q13546 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MMP12 P39900 2/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ PYGL P06737 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGB1 P05556 1/20 0.37

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
SCHEMBL31052926 1.00 GRN (0.44) GRNSORT1RIPK1ALDH1A1TSHR
SCHEMBL31052824 0.94 GRN (0.48) GRNSORT1RIPK1ALDH1A1MAPT
SCHEMBL31052905 0.82 GRN (0.41) GRNSORT1ALDH1A1TSHRMMP2
SCHEMBL31052804 0.82 GRN (0.53) GRNSORT1ALDH1A1MAPTGAA
SCHEMBL31052871 0.81 GRN (0.45) GRNSORT1RIPK1MAPTHPGD
SCHEMBL31052787 0.79 GAA (0.47) GRNSORT1ALDH1A1TSHRMAPT
SCHEMBL31052770 0.79 FDPS (0.44) GRNSORT1ALDH1A1GAARAB9A
SCHEMBL6130487 0.76 FPR2 (0.49) ALDH1A1TSHRMAPTGAAHPGD
SCHEMBL4535859 0.76 FPR2 (0.49) ALDH1A1TSHRMAPTGAAHPGD
SCHEMBL31052820 0.75 GRN (0.45) GRNSORT1RIPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP disclosed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO disclosed
Send feedback