SCHEMBL31290868

SCHEMBL31290868

CC(C)(c1ccc(OCC2CO2)c(Br)c1)c1ccc(OCC2CO2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
TSHR P16473 6/20 0.60
MAPT P10636 4/20 0.60
KMT2A Q03164 4/20 0.60
TP53 P04637 3/20 0.60
MEN1 O00255 3/20 0.60
HPGD P15428 2/20 0.60
HIF1A Q16665 2/20 0.60
CYP1A2 P05177 1/20 0.60
PPARG P37231 1/20 0.60
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
VDR P11473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL467256 1.00 ALDH1A1 (0.60) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL1755839 0.88 ALDH1A1 (0.64) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL10021043 0.86 ALDH1A1 (0.67) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL12558176 0.84 TSHR (0.59) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL15835640 0.84 TSHR (0.63) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL10407011 0.84 ALDH1A1 (0.59) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL18328216 0.83 TP53 (0.58) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL12592893 0.82 ALDH1A1 (0.57) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL15835628 0.82 ALDH1A1 (0.61) ALDH1A1TSHRMAPTKMT2ATP53
SCHEMBL16744115 0.82 TSHR (0.57) ALDH1A1TSHRMAPTKMT2ATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250119018-A1 ROTARY MACHINE COIL, METHOD FOR MANUFACTURING SAME, AND ROTARY MACHINE MITSUBISHI ELECTRIC CORPORATION (JP) 2025-04-10 US disclosed
US-12252645-B2 Formulation and setup method of in-situ dissolvable plug CNPC USA CORPORATION (US) 2025-03-18 US disclosed
US-20250043169-A1 FORMULATION AND SETUP METHOD OF IN-SITU DISSOLVABLE PLUG CHINA NATIONAL PETROLEUM CORPORATION (CN) 2025-02-06 US disclosed