SCHEMBL5710096

SCHEMBL5710096

CCCCCOc1ccc(C(=O)c2ccc(O)cc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
TP53 P04637 4/20 0.55
TSHR P16473 1/20 0.55
LTA4H P09960 1/20 0.54
HTT P42858 1/20 0.54
PLA2G4B P0C869 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
RARB P10826 3/20 0.51

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
SCHEMBL30375331 1.00 NR5A1 (0.56) NR5A1TP53TSHRLTA4HHTT
SCHEMBL30374782 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL5710131 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL30375171 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL5709840 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL5709866 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL5710065 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL30375324 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL30375396 0.99 NR5A1 (0.59) NR5A1TP53TSHRLTA4HHTT
SCHEMBL30375435 0.97 TP53 (0.55) NR5A1TP53TSHRLTA4HHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 WO disclosed
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed