SCHEMBL5709889

SCHEMBL5709889

COc1ccc(OC)c(C(=O)c2ccc(O)cc2O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
NPC1 O15118 2/20 0.73
HPGD P15428 7/20 0.63
LMNA P02545 5/20 0.63
CYP3A4 P08684 5/20 0.63
CYP1A2 P05177 2/20 0.63
PGR P06401 2/20 0.63
SLC6A2 P23975 2/20 0.63
CYP2C19 P33261 2/20 0.63
ALOX15 P16050 2/20 0.63
ADORA3 P0DMS8 1/20 0.63
AR P10275 1/20 0.63
CHRM1 P11229 1/20 0.63
TBXA2R P21731 1/20 0.63
ADRA1A P35348 1/20 0.63
HIF1A Q16665 1/20 0.63
ALDH1A1 P00352 7/20 0.62
MAPT P10636 4/20 0.62
HTT P42858 3/20 0.62
POLB P06746 2/20 0.62

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
SCHEMBL30375318 1.00 RAB9A (0.73) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL7332618 0.95 RAB9A (0.80) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL93206 0.91 NPC1 (0.89) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL30900821 0.91 NPC1 (0.89) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL29419872 0.91 NPC1 (0.89) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL1348833 0.91 NPC1 (0.89) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL5709863 0.89 NPC1 (0.75) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL29389720 0.89 NPC1 (0.75) RAB9ANPC1HPGDLMNACYP3A4
SCHEMBL12228747 0.85 MAPT (0.82) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL29365072 0.85 NPC1 (1.00) RAB9ANPC1HPGDLMNACYP3A4

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