SCHEMBL4904716

SCHEMBL4904716

O=C(OCCCCc1cc(O)ccc1C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
ESR1 P03372 3/20 0.52
ESR2 Q92731 2/20 0.52
PRKCG P05129 2/20 0.50
PRKCB P05771 2/20 0.50
PRKCA P17252 2/20 0.50
PRKCE Q02156 2/20 0.50
PRKCD Q05655 2/20 0.50
PRKCH P24723 1/20 0.50
EGFR P00533 2/20 0.49
SERPINE1 P05121 1/20 0.48
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4907156 0.97 TDP1 (0.59) TDP1ESR1ESR2PRKCGPRKCB
SCHEMBL4907929 0.92 ESR1 (0.56) TDP1ESR1ESR2PRKCGPRKCB
Hexyl 4-Hydroxybenzoate SCHEMBL30849029 0.86 ESR1 (0.60) TDP1ESR1LMNACYP1A2CYP2D6
SCHEMBL4904703 0.85 ESR1 (0.58) TDP1ESR1ESR2PRKCGPRKCB
Butylparaben SCHEMBL18606625 0.85 ESR1 (0.66) TDP1ESR1ESR2LMNACYP1A2
SCHEMBL10955899 0.82 CA12 (0.55) TDP1ESR1ESR2EGFRSERPINE1
SCHEMBL30497612 0.82 CA12 (0.55) TDP1ESR1ESR2EGFRSERPINE1
SCHEMBL10722763 0.82 ALDH1A1 (0.49) ESR1ESR2TSHR
SCHEMBL2876997 0.81 CA12 (0.53) TDP1EGFRSERPINE1TSHRMEN1
SCHEMBL10955272 0.81 CA12 (0.53) TDP1EGFRSERPINE1TSHRMEN1

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-20080194403-A1 Laser Recording Thermally Sensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2008-08-14 US disclosed
EP-1707399-B1 LASER RECORDING TYPE HEAT-SENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2007-11-28 EP disclosed
US-20070099798-A1 Laser recording thermally sensitive recording medium NAGAI TOMOAKI 2007-05-03 US disclosed
EP-1398169-B1 LASER RECORDING TYPE HEAT SENSITIVE RECORDING ELEMENT JUJO PAPER CO LTD (JP) 2006-11-15 EP disclosed
EP-1707399-A1 LASER RECORDING TYPE HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2006-10-04 EP disclosed
US-20040171485-A1 Laser recording type heat sensitive recording element NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-09-02 US disclosed
EP-1398169-A1 LASER RECORDING TYPE HEAT SENSITIVE RECORDING ELEMENT Nippon Paper Industries Co., Ltd. (JP) 2004-03-17 EP disclosed