SCHEMBL7691197

SCHEMBL7691197

CC=C(C(=O)S)c1ccccc1CBr

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.33
TSHR P16473 3/20 0.33
PTPN1 P18031 1/20 0.32
CLCN2 P51788 1/20 0.31
HTT P42858 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPT P10636 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 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
SCHEMBL7459530 0.84 FOLH1 (0.37) FOLH1ALDH1A1LMNATSHRPTPN1
SCHEMBL3459412 0.84 FOLH1 (0.37) FOLH1ALDH1A1LMNATSHRPTPN1
SCHEMBL5669568 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHPGDTSHRHTT
SCHEMBL6156562 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHPGDTSHRHTT
SCHEMBL7684484 0.80 LMNA (0.33) FOLH1ALDH1A1LMNAHPGDTSHR
SCHEMBL8035923 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHPGDTSHRHTT
SCHEMBL10613851 0.78 MEN1 (0.47) ALDH1A1LMNATSHRMAPT
SCHEMBL27869104 0.77 ALDH1A1 (0.38) FOLH1ALDH1A1LMNAHPGDTSHR
SCHEMBL8227007 0.74 ALDH1A1 (0.44) FOLH1ALDH1A1LMNAHPGDTSHR
SCHEMBL7691194 0.73 ERCC5 (0.36) FOLH1ALDH1A1LMNAPTPN1CLCN2

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
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed