SCHEMBL31583243

SCHEMBL31583243

CC1(C)CCOc2cccc(Br)c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MAP3K14 Q99558 2/20 0.32
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
EGFR P00533 2/20 0.30

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
SCHEMBL4849393 1.00 ITGB2 (0.37) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL16661511 0.78 ITGB2 (0.37) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9189679 0.77 ITGB2 (0.33) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL8731890 0.73 HTR1A (0.36) RARARARBRARGHTR1AHTR7
SCHEMBL16735690 0.73 SMN1; SMN2 (0.39) LMNASMN1; SMN2RARARARBRARG
SCHEMBL2632863 0.71 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL31583563 0.71 RARA (0.36) SMN1; SMN2MAP3K14RARARARBRARG
SCHEMBL18211739 0.70 KDM4E (0.41) LMNAHTTRARARARBRARG
SCHEMBL29531735 0.68 TP53 (0.44) RARARARBRARGHTR2B
SCHEMBL1684016 0.68 TP53 (0.44) RARARARBRARGHTR2B

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-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 WO disclosed