SCHEMBL10834213

SCHEMBL10834213

Cc1cccc(OCC(O)(c2cncnc2)C(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CYP19A1 P11511 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL10834654 0.78 CYP19A1 (0.42) CYP19A1MAPTKDM4EGAALMNA
SCHEMBL10834848 0.76 CYP19A1 (0.47) RAB9ACYP19A1MAPTGAALMNA
SCHEMBL10586952 0.72 CYP19A1 (0.46) CYP19A1
SCHEMBL15452805 0.72 CYP17A1 (0.34) CYP19A1
SCHEMBL12870557 0.72 CYP19A1 (0.40) CYP19A1MAPTKDM4EMEN1KMT2A
SCHEMBL9886352 0.70 SCN10A (0.38) ALDH1A1L3MBTL1
SCHEMBL27385131 0.67 HTR1B (0.49) HTR1BRAB9AMAPTKDM4EGAA
SCHEMBL19563032 0.66 HTR1B (0.51) HTR1BRAB9AMAPTKDM4EGAA
SCHEMBL14290588 0.65 KMT2A (0.50) HTR1BRAB9AMAPTKDM4EGAA
SCHEMBL9120285 0.65 KMT2A (0.50) HTR1BRAB9AMAPTKDM4EGAA

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
US-4584373-A MICROBIOCIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-04-22 — — US claimed
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