SCHEMBL5710105

SCHEMBL5710105

CCCCCCCCCCCCCCCCCCN(c1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.57
▸ PTGES O14684 2/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ RARB P10826 6/20 0.49
▸ PLA2G4B P0C869 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RARA P10276 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXRA P19793 1/20 0.48
▸ LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL11555268 0.85 NPC1 (0.48) ALOX5PTGESNPC1JAK2RAB9A
SCHEMBL2849795 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL60682 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL1204768 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL619876 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL7924615 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL166835 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL44732 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL45379 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1
SCHEMBL985190 0.85 NPC1 (0.53) NPC1JAK2RAB9APAX8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 — — US claimed
US-4720301-A Reversible heat sensitive recording composition PILOT INK CO., LTD. (JP) 1988-01-19 — — US claimed
EP-2772523-B1 REVERSIBLY THERMOCHROMIC COMPOSITION PILOT CORPORATION KK (JP) 2018-11-28 — — EP disclosed
US-20140291585-A1 REVERSIBLY THERMOCHROMIC COMPOSITION KABUSHIKI KAISHA PILOT CORPORATION (JP) 2014-10-02 — — US disclosed
EP-2772523-A1 REVERSIBLY THERMOCHROMIC COMPOSITION Kabushiki Kaisha Pilot Corporation (JP) 2014-09-03 — — EP 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
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