SCHEMBL31336264

SCHEMBL31336264

CN1CCOB(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
ADRB1 P08588 1/20 0.34
TACR1 P25103 4/20 0.33
SLC6A4 P31645 3/20 0.33
CYP3A4 P08684 2/20 0.32
USP2 O75604 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.30
CHKA P35790 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL31336168 0.84 ALDH1A1 (0.42) USP2LMNAALDH1A1SMN1; SMN2HTR2C
SCHEMBL6692161 0.84 CES2 (0.35) ADRB1
SCHEMBL31336215 0.83 EPHX2 (0.39) HIF1AALDH1A1EPHX2CHKAHTR2A
SCHEMBL31336204 0.77 HRH4 (0.35) ALDH1A1
SCHEMBL31336205 0.76 HRH4 (0.33)
SCHEMBL3457557 0.70 LPL (0.41) USP2LMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL6680366 0.69 CES2 (0.39) ADRB1TSHRALDH1A1
SCHEMBL12989225 0.69 POLB (0.39) SLC6A4TSHRLMNASMN1; SMN2CYP2D6
SCHEMBL3458032 0.69 CYP2C9 (0.41) SLC6A4CYP2C19ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL3457445 0.68 KMT2A (0.36) CYP2D6HTR2AHTR2C

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
WO-2024232325-A1 DIOXAZABOROCANE DERIVATIVE 国立大学法人 東京医科歯科大学 2024-11-14 WO claimed
WO-2024232325-A1 DIOXAZABOROCANE DERIVATIVE 国立大学法人 東京医科歯科大学 2024-11-14 WO disclosed