SCHEMBL5709848

SCHEMBL5709848

CCCCCCCCCCCCCCCCCCOC(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
CHRM2 P08172 4/20 0.59
CHRM1 P11229 4/20 0.59
CHRM3 P20309 4/20 0.59
CHRM4 P08173 2/20 0.59
ALDH1A1 P00352 4/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 1/20 0.55
CHRM5 P08912 1/20 0.53
CYP2D6 P10635 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARG P37231 3/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL27815600 1.00 MEN1 (0.61) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL27815598 1.00 MEN1 (0.61) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL5709937 1.00 MEN1 (0.61) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL5161453 0.94 MEN1 (0.64) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL5158545 0.87 MEN1 (0.68) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL28139415 0.86 TSHR (0.54) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL27913190 0.86 TSHR (0.54) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL29140992 0.85 TSHR (0.53) MEN1KMT2APOLBALDH1A1TSHR
Butane SCHEMBL27554526 0.85 TSHR (0.53) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL27554525 0.85 TSHR (0.53) MEN1KMT2APOLBALDH1A1TSHR

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
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
CN-103998569-A Reversibly thermochromic composition PILOT CORP 2014-08-20 CN disclosed
CN-101878024-A The taxane delivery system of improvement CELATOR PHARMACEUTICALS INC 2010-11-03 CN 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