SCHEMBL9505448

SCHEMBL9505448

C[C]C(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
TSHR P16473 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP1A2 P05177 1/20 0.55
PPARG P37231 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.42
FFAR1 O14842 9/20 0.40
GRM2 Q14416 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9507712 0.88 TDP1 (0.54) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL16488801 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL22294896 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL31450 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL10411438 0.82 ALDH1A1 (0.64) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL234681 0.81 ALDH1A1 (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7966302 0.81 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7966299 0.81 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL3143396 0.81 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL14388708 0.81 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295126-B1 ARYLAMINE-CONTAINING POLYHYDROXY ETHER RESINS XEROX CORPORATION (US) 1993-08-04 EP disclosed
US-4956440-A Arylamine containing polyhydroxyether resins XEROX CORPORATION (US) 1990-09-11 US disclosed
US-4818650-A Arylamine containing polyhydroxy ether resins and system utilizing arylamine containing polyhydroxyl ether resins XEROX CORPORATION (US) 1989-04-04 US disclosed
EP-0295126-A2 Arylamine-containing polyhydroxy ether resins XEROX CORPORATION (US) 1988-12-14 EP disclosed