SCHEMBL9215261

SCHEMBL9215261

CCCCCCCCCCCCCCCCCCc1ccc(OCCCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
CYP3A4 P08684 2/20 0.73
MEN1 O00255 1/20 0.73
USP2 O75604 1/20 0.73
MAPK1 P28482 1/20 0.73
CASP1 P29466 1/20 0.73
KMT2A Q03164 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
SLCO1B3 Q9NPD5 1/20 0.73
SLCO1B1 Q9Y6L6 1/20 0.73
NR5A1 Q13285 1/20 0.60
ESR1 P03372 2/20 0.59
ADRA2A P08913 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
TACR2 P21452 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL9778996 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL29084660 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL27293259 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL9357898 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL10569132 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL13763215 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL10945879 0.98 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL19043274 0.96 LMNA (0.69) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL1617384 0.96 LMNA (0.69) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL27447908 0.96 ALDH1A1 (0.68) ALDH1A1LMNACYP3A4MEN1USP2

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-1995003891-A1 ARYL ETHER MONOSULFONATE COLLECTORS USEFUL IN THE FLOTATION OF MINERALS THE DOW CHEMICAL COMPANY (US) 1995-02-09 WO disclosed